Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 15/20 | 0.64 |
| ▸ | CDK4 | P11802 | 2/20 | 0.64 |
| ▸ | CCND1 | P24385 | 2/20 | 0.64 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.64 |
| ▸ | CDK2 | P24941 | 2/20 | 0.64 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.64 |
| ▸ | CDK7 | P50613 | 1/20 | 0.64 |
| ▸ | CDK9 | P50750 | 1/20 | 0.64 |
| ▸ | CCNH | P51946 | 1/20 | 0.64 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.64 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.64 |
| ▸ | PIM1 | P11309 | 7/20 | 0.60 |
| ▸ | DYRK2 | Q92630 | 5/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCND3 | P30281 | 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 | |
|---|---|---|---|---|
| SCHEMBL29233649 | 1.00 | CDK6 (0.64) | CDK6CDK4CCND1CCNA2CDK2 | |
| SCHEMBL31472290 | 0.90 | CDK6 (0.62) | CDK6CDK4CCND1CCNA2CDK2 | |
| SCHEMBL29233636 | 0.84 | CDK6 (0.61) | CDK6CDK4CCND1CCNA2CDK2 | |
| SCHEMBL31472289 | 0.84 | CDK2 (0.58) | CDK6CDK4CCND1CCNA2CDK2 | |
| SCHEMBL31472287 | 0.84 | CDK6 (0.61) | CDK6CDK4CCND1CCNA2CDK2 | |
| SCHEMBL29233639 | 0.84 | CDK2 (0.58) | CDK6CDK4CCND1CCNA2CDK2 | |
| Ammonia Solution, Strong SCHEMBL29233652 | 0.83 | CDK6 (0.47) | CDK6CDK4CCND1CCNA2CDK2 | |
| SCHEMBL31472291 | 0.83 | CDK6 (0.55) | CDK6CDK4CCND1CCNA2CDK2 | |
| SCHEMBL31472292 | 0.82 | CDK6 (0.56) | CDK6CDK4CCND1CCNA2CDK2 | |
| SCHEMBL29233673 | 0.82 | CDK6 (0.56) | CDK6CDK4CCND1CCNA2CDK2 |
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-118184629-B | Pyrimidine quinoxaline CDK inhibitor and preparation method and application thereof | 中国药科大学 | 2025-02-07 | — | — | CN | disclosed |