Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 16/20 | 0.50 |
| ▸ | CCND1 | P24385 | 15/20 | 0.50 |
| ▸ | CDK2 | P24941 | 14/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 13/20 | 0.50 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 8/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCND3 | P30281 | 5/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29212021 | 0.93 | CDK2 (0.48) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29212020 | 0.91 | CCNE1 (0.52) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29212030 | 0.91 | CCNE1 (0.55) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL30874737 | 0.91 | CCNE1 (0.55) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29211994 | 0.90 | CDK2 (0.56) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29212024 | 0.86 | CCNE1 (0.67) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29212014 | 0.85 | CCNE1 (0.55) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL30874685 | 0.85 | CCNE1 (0.55) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29212044 | 0.85 | CCNE1 (0.55) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29235879 | 0.84 | CDK6 (0.49) | CDK6CCND1CDK2CCNE1CCNE2 |
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-117886801-B | Pyridone pyrimidine CDK inhibitor, and preparation method and application thereof | 中国药科大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-117886801-A | Pyridone pyrimidine CDK inhibitor, and preparation method and application thereof | 中国药科大学 | 2024-04-16 | — | — | CN | disclosed |