Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.64 |
| ▸ | CHEK1 | O14757 | 8/20 | 0.61 |
| ▸ | CDK1 | P06493 | 1/20 | 0.57 |
| ▸ | CDK2 | P24941 | 1/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.56 |
| ▸ | KIT | P10721 | 2/20 | 0.54 |
| ▸ | FLT1 | P17948 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL7089950 | 0.99 | KDR (0.63) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL6994408 | 0.95 | KDR (0.64) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL7696243 | 0.91 | CHEK1 (0.57) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL7002081 | 0.90 | CDK1 (0.67) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL7705309 | 0.90 | KDR (0.69) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL7093397 | 0.89 | CHEK1 (0.54) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL7091231 | 0.88 | CHEK1 (0.56) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL7703594 | 0.88 | CHEK1 (0.53) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL6999716 | 0.88 | CHEK1 (0.53) | KDRCHEK1CDK1CDK2ROCK2 | |
| SCHEMBL7092465 | 0.88 | KDR (0.56) | KDRCHEK1ROCK2ROCK1KIT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | claimed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | claimed |
| 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 |
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |