Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 7/20 | 0.56 |
| ▸ | KDR | P35968 | 5/20 | 0.56 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | GSR | P00390 | 2/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094338 | 0.89 | KDR (0.72) | CHEK1KDRCDK1CDK2PDGFRB | |
| SCHEMBL7089501 | 0.82 | KDR (0.60) | CHEK1KDRCDK1CDK2GSR | |
| SCHEMBL27606078 | 0.82 | KDR (0.60) | CHEK1KDRCDK1CDK2GSR | |
| SCHEMBL11861276 | 0.82 | KDR (0.60) | CHEK1KDRCDK1CDK2GSR | |
| SCHEMBL11865843 | 0.82 | KDR (0.60) | CHEK1KDRCDK1CDK2GSR | |
| SCHEMBL7701873 | 0.82 | KDR (0.60) | CHEK1KDRCDK1CDK2GSR | |
| SCHEMBL30583253 | 0.80 | CDK1 (0.78) | CHEK1KDRCDK1CDK2GSR | |
| SCHEMBL4996872 | 0.80 | CDK1 (0.78) | CHEK1KDRCDK1CDK2GSR | |
| SCHEMBL11861284 | 0.76 | KDR (0.56) | CHEK1KDRCDK1CDK2GSR | |
| SCHEMBL27552268 | 0.75 | KDR (0.52) | CHEK1KDRCDK1CDK2GSR |
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 |