Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 16/20 | 0.67 |
| ▸ | CDK4 | P11802 | 12/20 | 0.67 |
| ▸ | CCND3 | P30281 | 8/20 | 0.67 |
| ▸ | CDK1 | P06493 | 6/20 | 0.67 |
| ▸ | CCND1 | P24385 | 6/20 | 0.67 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.67 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.67 |
| ▸ | CDK2 | P24941 | 3/20 | 0.67 |
| ▸ | FLT3 | P36888 | 2/20 | 0.67 |
| ▸ | CIT | O14578 | 1/20 | 0.67 |
| ▸ | GAK | O14976 | 1/20 | 0.67 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.67 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.67 |
| ▸ | STK16 | O75716 | 1/20 | 0.67 |
| ▸ | CCNK | O75909 | 1/20 | 0.67 |
| ▸ | STK10 | O94804 | 1/20 | 0.67 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.67 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL19966563 | 0.89 | CDK6 (0.68) | CDK6CDK4CCND3CDK1CCND1 | |
| SCHEMBL19966544 | 0.89 | CDK6 (0.71) | CDK6CDK4CCND3CDK1CCND1 | |
| SCHEMBL19966657 | 0.86 | CDK6 (0.73) | CDK6CDK4CCND3CDK1CCND1 | |
| SCHEMBL19209867 | 0.83 | CDK6 (0.80) | CDK6CDK4CCND3CDK1CCND1 | |
| SCHEMBL24664305 | 0.81 | CDK6 (0.66) | CDK6CDK4CCND3CDK1CCND1 | |
| SCHEMBL29527689 | 0.81 | CDK6 (0.66) | CDK6CDK4CCND3CDK1CCND1 | |
| SCHEMBL19966492 | 0.81 | CDK6 (0.79) | CDK6CDK4CCND3CDK1CCND1 | |
| SCHEMBL19966543 | 0.81 | CDK6 (0.74) | CDK6CDK4CCND3CDK1CCND1 | |
| SCHEMBL22650392 | 0.80 | CDK6 (0.64) | CDK6CDK4CCND3CDK1CCND1 | |
| Abemaciclib SCHEMBL29423472 | 0.80 | CDK4 (1.00) | CDK6CDK4CCND3CDK1CCND1 |
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 |