Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 17/20 | 0.71 |
| ▸ | CCND1 | P24385 | 17/20 | 0.71 |
| ▸ | CCNE1 | P24864 | 16/20 | 0.71 |
| ▸ | CDK6 | Q00534 | 14/20 | 0.71 |
| ▸ | CDK4 | P11802 | 7/20 | 0.71 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.71 |
| ▸ | CDK9 | P50750 | 3/20 | 0.71 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.66 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.66 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.66 |
| ▸ | CCND3 | P30281 | 4/20 | 0.60 |
| ▸ | CCND2 | P30279 | 3/20 | 0.60 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.60 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.60 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.60 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.60 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL3303713 | 0.95 | CCND1 (0.66) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL16802783 | 0.87 | MAPK8 (0.76) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL5269917 | 0.86 | CCND1 (0.78) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL3306096 | 0.86 | CCND1 (0.78) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL24572106 | 0.85 | CCNE1 (0.66) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL30459572 | 0.85 | CCNE1 (0.66) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL16802795 | 0.84 | CDK2 (0.74) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL18148251 | 0.84 | CDK2 (0.74) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL26098322 | 0.84 | CCNE1 (0.61) | CDK2CCND1CCNE1CDK6CDK4 | |
| SCHEMBL26098323 | 0.84 | CCNE1 (0.61) | CDK2CCND1CCNE1CDK6CDK4 |
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-2023051302-A1 | HETEROCYCLIC COMPOUND HAVING CYCLIN-DEPENDENT KINASE INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2023-04-06 | — | — | WO | disclosed |