⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24876389 | 0.88 | KRAS (0.33) | — | |
| SCHEMBL24876293 | 0.88 | KRAS (0.33) | — | |
| SCHEMBL24876392 | 0.86 | KRAS (0.35) | — | |
| SCHEMBL24876304 | 0.86 | KRAS (0.35) | — | |
| SCHEMBL25445845 | 0.84 | DPP4 (0.30) | — | |
| SCHEMBL25504812 | 0.79 | CHRM2 (0.34) | — | |
| SCHEMBL25066432 | 0.77 | KRAS (0.34) | — | |
| SCHEMBL24359165 | 0.76 | CA1 (0.33) | — | |
| SCHEMBL25445664 | 0.74 | — | — | |
| SCHEMBL24876296 | 0.73 | POLB (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12030884-B2 | Pyrazoloquinoline KRAS inhibitors | INCYTE CORPORATION (US) | 2024-07-09 | — | — | US | disclosed |
| US-20230226040-A1 | COMBINATION THERAPY COMPRISING AN FGFR INHIBITOR AND A KRAS INHIBITOR | INCYTE CORPORATION | 2023-07-20 | — | — | US | disclosed |
| US-20230143938-A1 | PYRAZOLOQUINOLINE KRAS INHIBITORS | INCYTE CORPORATION | 2023-05-11 | — | — | US | disclosed |