Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 17/20 | 0.63 |
| ▸ | CCNE1 | P24864 | 11/20 | 0.63 |
| ▸ | CDK1 | P06493 | 11/20 | 0.63 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.63 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.63 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.63 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.63 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.63 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.63 |
| ▸ | CDK4 | P11802 | 12/20 | 0.51 |
| ▸ | CCND1 | P24385 | 12/20 | 0.51 |
| ▸ | CDK6 | Q00534 | 7/20 | 0.51 |
| ▸ | CDK9 | P50750 | 3/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.51 |
| ▸ | CCND3 | P30281 | 4/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | CASK | O14936 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | CDKL5 | O76039 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29236021 | 1.00 | CDK2 (0.63) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL30838824 | 0.88 | CDK2 (0.64) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL29235880 | 0.88 | CDK2 (0.64) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL30838846 | 0.86 | CDK2 (0.64) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL29235988 | 0.86 | CDK2 (0.64) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL30838828 | 0.85 | CDK2 (0.58) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL29235877 | 0.85 | CDK2 (0.58) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL29236014 | 0.84 | CDK2 (0.61) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL30838843 | 0.84 | CDK2 (0.61) | CDK2CCNE1CDK1CCNB1CDK5 | |
| SCHEMBL29212023 | 0.80 | CCNE1 (0.67) | CDK2CCNE1CDK1CCNB1CDK5 |
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-118005614-B | Pyrimidine pyridine CDK inhibitor and preparation method and application thereof | 中国药科大学 | 2025-02-07 | — | — | CN | disclosed |
| CN-118005614-A | Pyrimidine pyridine CDK inhibitor and preparation method and application thereof | 中国药科大学 | 2024-05-10 | — | — | CN | disclosed |