Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.65 |
| ▸ | CCNE1 | P24864 | 14/20 | 0.65 |
| ▸ | CDK1 | P06493 | 14/20 | 0.65 |
| ▸ | CCNB1 | P14635 | 13/20 | 0.65 |
| ▸ | CDK6 | Q00534 | 10/20 | 0.58 |
| ▸ | CDK2 | P24941 | 9/20 | 0.58 |
| ▸ | CDK9 | P50750 | 4/20 | 0.55 |
| ▸ | CDK7 | P50613 | 3/20 | 0.55 |
| ▸ | CCND3 | P30281 | 3/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.55 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.54 |
| ▸ | JAK2 | O60674 | 1/20 | 0.54 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | RAF1 | P04049 | 1/20 | 0.54 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.54 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.54 |
| ▸ | BRAF | P15056 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19966566 | 0.84 | CDK4 (0.63) | CDK4CDK1CDK6CDK2CDK9 | |
| SCHEMBL19966656 | 0.82 | CDK6 (0.60) | CDK4CCNE1CDK1CCNB1CDK6 | |
| SCHEMBL19966451 | 0.82 | CDK6 (0.64) | CDK4CCNE1CDK1CCNB1CDK6 | |
| SCHEMBL19966547 | 0.82 | CDK6 (0.48) | CDK4CCNE1CDK1CCNB1CDK6 | |
| SCHEMBL19966510 | 0.81 | CDK4 (0.79) | CDK4CCNE1CDK1CCNB1CDK6 | |
| SCHEMBL19966556 | 0.79 | CDK4 (0.72) | CDK4CCNE1CDK1CCNB1CDK6 | |
| SCHEMBL19966325 | 0.79 | CDK6 (0.61) | CDK4CDK6CCND3 | |
| SCHEMBL17477262 | 0.79 | CDK4 (1.00) | CDK4CCNE1CDK1CCNB1CDK6 | |
| SCHEMBL18289076 | 0.78 | CDK4 (1.00) | CDK4CCNE1CDK1CCNB1CDK6 | |
| SCHEMBL18289326 | 0.78 | CDK4 (1.00) | CDK4CCNE1CDK1CCNB1CDK6 |
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-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 |