Discovery Solutions

The drug discovery engine of choice for even the most challenging targets

In early drug discovery every cog of the discovery engine matters. The RIGHT protein for all discovery technologies, cutting-edge structural biology, tailor-made assay development, wide range of screening library access options, and all of that combined with the full spectrum of biophysical mode-of-action methodologies. If one cog is missing, you might not find any or the potentially best Hit compounds, which could make your program a success.

We call this Discovery Solutions. Our Discovery Solutions engine and program help you to open the door to subsequent Lead Optimization and clinical programs. We are eager to unlock even the most technically challenging targets.


Watch our webinar “Supporting Your Search for Novel Chemical Equity and Qualified Hits”

First-ever-reported inhibitors of BTK to utilize epoxides as electrophile: A case study in how to identify and validate drug-like leads for difficult-to-target drugs

"Qualified Hits" Program

Identify qualified hit compounds using the full power of the Proteros Discovery Engine 

From target nomination to milestone completion

  • Protein Sciences
  • Assay development
  • Screening
  • hit ID
  • Orthogonal hit verification
  • Protein-ligand-structure analysis
  • Extended hit profiling


Qualified hits graphic

Discovery Your Way

Flexible, open access to Proteros protein sciences, structural biology, assays, biophysics, screening capabilities - your choice according to your project demands!



High-quality library collections offered by Proteros in collaboration with Enamine for immediate screening and seamless post-screening processes

  • PAINS-free screening libraries [no pan-assay interference compounds] designed by deselection of reactive compounds and unfavorable physicochemical properties
  • All libraries Ro3 or Ro5 compliant
  • Proteros hand-selected compounds/fragments from Enamine
  • Hit expansion into full-range of available Enamine compounds
  • Fast synthesis of hit analogues at Enamine (building blocks available)
  • Easy and cost-efficient access to high quality screening libraries
  • Rapid transition into Proteros structural biology platform

Fast HTS follow up using:

  • Reporter Displacement Assay (RDA)
  • Enzymatic Assays
  • TSA
  • SPR (Biacore 8K+)
  • MST (Nanotemper)
  • nanoDSF (Nanotemper)
  • nanoBRET (Promega)


3k Proteros hand-selected fragments

  • Ro3 compliant, MW 160- 300 g/mol, solubility checked
  • High diversity, max Tanimoto similarity of 0.66
  • High concentration collection (100 mM DMSO stock concentration -> up to 1 mM screening concentration)
  • Application: Fragment screening


Fragment-enriched 41k small molecules library

  • Fragment enriched (25% MW < 300 g/mol
  • Sorted by size: 10,000 Fragments can be screened separately
  • High sp3 fraction, average sp3 fraction = 0.42
  • Applications: Combination of fragment and small molecule screen
  • Screen of smaller library with high hit rates


150k high quality small molecules

  • High diversity
  • Specific clustering concept (23,598 clusters, mean cluster size = 6)
  • Additional cluster members available by expansion into full range of Enamine compounds
  • Application: HTS


191k high quality small molecules (fragment enriched)

  • Combination of range finder and small molecule diversity library
  • Application: HTS

Proteros' Discovery Solutions Expert Science Team

Broad Target expertise including: membrane proteins (GPCR, ion channels), epigenetic complexes, protein complexes (Protein-Protein interactions), Biologics, Protein-DNA/RNA complexes, Lipid Kinases


assays, biophysics and screening experts led by 7 PhDs with access to cutting-edge laboratories


protein specialists representing a strong academic pedigree with substantial peer-reviewed publications


PhDs with structural biology and drug discovery background