Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 10/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 9/20 | 0.43 |
| ▸ | CDK1 | P06493 | 6/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 5/20 | 0.41 |
| ▸ | CCND1 | P24385 | 5/20 | 0.41 |
| ▸ | CCND3 | P30281 | 5/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.41 |
| ▸ | CDK7 | P50613 | 4/20 | 0.41 |
| ▸ | CDK9 | P50750 | 4/20 | 0.41 |
| ▸ | CCNH | P51946 | 4/20 | 0.41 |
| ▸ | MNAT1 | P51948 | 4/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 3/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26919004 | 1.00 | CDK2 (0.43) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL29763082 | 1.00 | CDK2 (0.43) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL26946829 | 0.90 | CDK2 (0.43) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL26942797 | 0.89 | CDK2 (0.44) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL26943737 | 0.86 | CDK2 (0.39) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL26944109 | 0.86 | IKBKB (0.42) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL26943395 | 0.86 | IKBKB (0.41) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL26943895 | 0.86 | CDK2 (0.40) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL26941878 | 0.85 | CDK2 (0.44) | CDK2CCNE1CDK1CCNB1KDR | |
| SCHEMBL26943236 | 0.85 | IKBKB (0.47) | CDK2CCNE1CDK1CCNB1KDR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4289835-A1 | CDK INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2023-12-13 | — | — | EP | disclosed |
| EP-4289835-A1 | CDK INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2023-12-13 | — | — | EP | disclosed |
| CN-116472270-A | CDK inhibitors | 上海齐鲁制药研究中心有限公司 | 2023-07-21 | — | — | CN | disclosed |