Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.64 |
| ▸ | CDK6 | Q00534 | 17/20 | 0.64 |
| ▸ | CCND1 | P24385 | 1/20 | 0.64 |
| ▸ | CCND3 | P30281 | 1/20 | 0.64 |
| ▸ | CDK2 | P24941 | 16/20 | 0.60 |
| ▸ | CDK1 | P06493 | 8/20 | 0.57 |
| ▸ | CDK9 | P50750 | 5/20 | 0.57 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.57 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.57 |
| ▸ | CDK7 | P50613 | 4/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL19966462 | 0.89 | CDK4 (0.62) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL19966526 | 0.88 | CDK4 (0.67) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL19966468 | 0.88 | CDK4 (0.61) | CDK4CDK6CDK2CDK1CDK9 | |
| SCHEMBL19967971 | 0.87 | CDK4 (0.62) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL28560439 | 0.86 | CDK4 (0.60) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL21122400 | 0.85 | CDK4 (0.65) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL15252517 | 0.85 | CDK4 (0.66) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL30584548 | 0.84 | CDK4 (0.76) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL2492198 | 0.84 | CDK4 (0.76) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL19966583 | 0.83 | CDK4 (0.63) | CDK4CDK6CCND1CCND3CDK2 |
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 |