Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.53 |
| ▸ | KDR | P35968 | 4/20 | 0.52 |
| ▸ | CDK2 | P24941 | 2/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | MARK3 | P27448 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | STK3 | Q13188 | 1/20 | 0.40 |
| ▸ | MELK | Q14680 | 1/20 | 0.40 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7832418 | 0.94 | CHEK1 (0.51) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7184665 | 0.94 | CHEK1 (0.51) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7840336 | 0.88 | CHEK1 (0.57) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7848969 | 0.87 | CHEK1 (0.49) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7832382 | 0.86 | CHEK1 (0.52) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7094279 | 0.83 | KDR (0.58) | CHEK1KDRCDK2CDK1 | |
| SCHEMBL7840666 | 0.83 | CHEK1 (0.51) | CHEK1KDRCDK2CDK1 | |
| SCHEMBL7838497 | 0.81 | CHEK1 (0.49) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7832987 | 0.81 | CHEK1 (0.54) | CHEK1KDRCDK2CDK1MAP4K4 | |
| SCHEMBL7697858 | 0.81 | CDK1 (0.60) | CHEK1KDRCDK2CDK1NPC1 |
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 4 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 |
| 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 |