Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 12/20 | 0.65 |
| ▸ | KDR | P35968 | 4/20 | 0.65 |
| ▸ | CDK1 | P06493 | 1/20 | 0.61 |
| ▸ | CDK2 | P24941 | 1/20 | 0.61 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL6997102 | 0.85 | KDR (0.68) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7002588 | 0.81 | KDR (0.74) | CHEK1KDRCDK1CDK2PDGFRB | |
| SCHEMBL7000053 | 0.80 | CHEK1 (0.97) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7002715 | 0.80 | KDR (0.78) | CHEK1KDRCDK1CDK2PDGFRB | |
| SCHEMBL6998037 | 0.80 | KDR (0.68) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL29819445 | 0.80 | KDR (1.00) | CHEK1KDRCDK1CDK2PDGFRB | |
| SCHEMBL6968182 | 0.80 | KDR (1.00) | CHEK1KDRCDK1CDK2PDGFRB | |
| SCHEMBL7096380 | 0.79 | CHEK1 (0.94) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL4810393 | 0.79 | CHEK1 (1.00) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7096377 | 0.79 | CHEK1 (0.94) | CHEK1KDRCDK1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1289525-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | Abbott GmbH & Co. KG (DE) | 2003-03-12 | — | — | EP | disclosed |
| US-6462036-B1 | INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| WO-2001087846-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) | 2001-11-22 | — | — | WO | disclosed |