Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 19/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 14/20 | 0.38 |
| ▸ | CDK2 | P24941 | 8/20 | 0.38 |
| ▸ | CCND3 | P30281 | 10/20 | 0.37 |
| ▸ | CCND1 | P24385 | 8/20 | 0.37 |
| ▸ | CDK1 | P06493 | 7/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.37 |
| ▸ | CDK7 | P50613 | 3/20 | 0.37 |
| ▸ | CDK9 | P50750 | 3/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | CIT | O14578 | 1/20 | 0.37 |
| ▸ | GAK | O14976 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | STK16 | O75716 | 1/20 | 0.37 |
| ▸ | CCNK | O75909 | 1/20 | 0.37 |
| ▸ | STK10 | O94804 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30633738 | 0.83 | CDK4 (0.38) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL19966537 | 0.81 | CDK4 (0.35) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL29669654 | 0.81 | CDK4 (0.55) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL2514899 | 0.81 | CDK4 (0.55) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL22172149 | 0.78 | CDK4 (0.47) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL19966515 | 0.77 | CDK4 (0.40) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL29939081 | 0.76 | CDK4 (0.41) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL19231754 | 0.76 | CDK4 (0.42) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL26454120 | 0.75 | CDK4 (0.43) | CDK4CDK6CDK2CCND3CCND1 | |
| SCHEMBL22172304 | 0.75 | CDK4 (0.51) | CDK4CDK6CDK2CCND3CCND1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109952295-B | CDK4/6 inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-04-06 | — | — | CN | disclosed |
| WO-2018045957-A1 | CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-03-15 | — | — | WO | disclosed |