Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 19/20 | 0.48 |
| ▸ | AURKA | O14965 | 18/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 12/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | PRKCG | P05129 | 1/20 | 0.42 |
| ▸ | INSR | P06213 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428704 | 1.00 | CDK1 (0.48) | CDK1AURKACCNB1AURKBCDK2 | |
| SCHEMBL10167379 | 0.90 | CDK1 (0.44) | CDK1AURKACCNB1AURKBCDK2 | |
| SCHEMBL343351 | 0.90 | CDK1 (0.44) | CDK1AURKACCNB1AURKBCDK2 | |
| SCHEMBL342357 | 0.88 | AURKA (0.52) | CDK1AURKACCNB1AURKB | |
| SCHEMBL10167410 | 0.88 | AURKA (0.52) | CDK1AURKACCNB1AURKB | |
| SCHEMBL342650 | 0.85 | CDK1 (0.46) | CDK1AURKACCNB1AURKBCDK2 | |
| SCHEMBL342651 | 0.85 | CDK1 (0.46) | CDK1AURKACCNB1AURKBCDK2 | |
| SCHEMBL343811 | 0.85 | AURKA (0.51) | CDK1AURKACCNB1AURKBCDK2 | |
| SCHEMBL342652 | 0.84 | CDK1 (0.48) | CDK1AURKACCNB1AURKBCDK2 | |
| SCHEMBL343675 | 0.82 | CCND3 (0.51) | CDK1AURKACCNB1AURKBCDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8637529-B2 | Pyrazolo[3,4-d]pyrimidine compounds | AbbYie Inc. (US) | 2014-01-28 | — | — | US | disclosed |