Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.68 |
| ▸ | CHEK1 | O14757 | 15/20 | 0.68 |
| ▸ | CDK1 | P06493 | 1/20 | 0.64 |
| ▸ | CDK2 | P24941 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | SGK1 | O00141 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.46 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.46 |
| ▸ | AKT3 | Q9Y243 | 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 | |
|---|---|---|---|---|
| SCHEMBL7002588 | 0.88 | KDR (0.74) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL6997102 | 0.87 | KDR (0.68) | KDRCHEK1CDK1CDK2NPC1 | |
| SCHEMBL6999537 | 0.84 | CHEK1 (0.69) | KDRCHEK1CDK1CDK2NPC1 | |
| SCHEMBL7000003 | 0.84 | CHEK1 (0.64) | KDRCHEK1CDK1CDK2NPC1 | |
| SCHEMBL11865835 | 0.82 | KDR (0.78) | KDRCHEK1CDK1CDK2NPC1 | |
| SCHEMBL7000053 | 0.82 | CHEK1 (0.97) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL6994408 | 0.82 | KDR (0.64) | KDRCHEK1CDK1CDK2NPC1 | |
| SCHEMBL29819445 | 0.82 | KDR (1.00) | KDRCHEK1CDK1CDK2NPC1 | |
| SCHEMBL6968182 | 0.82 | KDR (1.00) | KDRCHEK1CDK1CDK2NPC1 | |
| SCHEMBL7164708 | 0.82 | CHEK1 (0.59) | KDRCHEK1CDK1CDK2NPC1 |
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 |