Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 16/20 | 0.49 |
| ▸ | CCND1 | P24385 | 16/20 | 0.49 |
| ▸ | CDK2 | P24941 | 13/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 11/20 | 0.49 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.49 |
| ▸ | CDK1 | P06493 | 2/20 | 0.49 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.49 |
| ▸ | CDK4 | P11802 | 10/20 | 0.40 |
| ▸ | CCND3 | P30281 | 7/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 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 | |
|---|---|---|---|---|
| SCHEMBL30838855 | 1.00 | CDK6 (0.49) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL30838838 | 0.92 | CDK2 (0.50) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29235893 | 0.92 | CDK2 (0.50) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29236018 | 0.91 | CDK2 (0.53) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL30838852 | 0.91 | CDK2 (0.53) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29235988 | 0.87 | CDK2 (0.64) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL30838846 | 0.87 | CDK2 (0.64) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL30838841 | 0.86 | CDK2 (0.53) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29235873 | 0.86 | CDK2 (0.53) | CDK6CCND1CDK2CCNE1CCNE2 | |
| SCHEMBL29235859 | 0.86 | CDK2 (0.53) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118005614-A | Pyrimidine pyridine CDK inhibitor and preparation method and application thereof | 中国药科大学 | 2024-05-10 | — | — | CN | disclosed |