Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.47 |
| ▸ | CDK6 | Q00534 | 17/20 | 0.47 |
| ▸ | CCND3 | P30281 | 13/20 | 0.47 |
| ▸ | CCND1 | P24385 | 12/20 | 0.47 |
| ▸ | CDK2 | P24941 | 7/20 | 0.42 |
| ▸ | CDK1 | P06493 | 5/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | CDK7 | P50613 | 3/20 | 0.40 |
| ▸ | CDK9 | P50750 | 3/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CIT | O14578 | 1/20 | 0.39 |
| ▸ | GAK | O14976 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | STK16 | O75716 | 1/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.39 |
| ▸ | STK10 | O94804 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29669654 | 0.85 | CDK4 (0.55) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL2514899 | 0.85 | CDK4 (0.55) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL22163943 | 0.83 | CDK4 (0.40) | CDK4CDK6CCND3CCND1CDK1 | |
| SCHEMBL26454120 | 0.82 | CDK4 (0.43) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL21522677 | 0.81 | CDK4 (0.61) | CDK4CDK6CCND3CCND1 | |
| SCHEMBL29412424 | 0.81 | CDK4 (0.61) | CDK4CDK6CCND3CCND1 | |
| SCHEMBL29939081 | 0.81 | CDK4 (0.41) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL22172140 | 0.80 | EGFR (0.46) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL30309496 | 0.80 | EGFR (0.46) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL19966497 | 0.78 | CDK4 (0.38) | CDK4CDK6CCND3CCND1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020135507-A1 | POLYSUBSTITUTED ANILINOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF | 杭州百新生物医药科技有限公司 | 2020-07-02 | — | — | WO | disclosed |