Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 12/20 | 0.66 |
| ▸ | CCNE1 | P24864 | 9/20 | 0.66 |
| ▸ | CDK1 | P06493 | 8/20 | 0.66 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.66 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.66 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.66 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.66 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.66 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.66 |
| ▸ | CDK6 | Q00534 | 10/20 | 0.61 |
| ▸ | CDK4 | P11802 | 10/20 | 0.53 |
| ▸ | CCND1 | P24385 | 10/20 | 0.53 |
| ▸ | CCND3 | P30281 | 6/20 | 0.53 |
| ▸ | IKBKB | O14920 | 1/20 | 0.51 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.50 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.48 |
| ▸ | CDK9 | P50750 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31472288 | 1.00 | CDK2 (0.66) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL29727028 | 0.90 | CDK2 (0.63) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL24619095 | 0.90 | CDK2 (0.63) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| Ammonia Solution, Strong SCHEMBL29233640 | 0.86 | CDK2 (0.64) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL31472289 | 0.86 | CDK2 (0.58) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL29233639 | 0.86 | CDK2 (0.58) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL30883982 | 0.85 | CDK2 (0.62) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL29212660 | 0.85 | CCNE1 (0.62) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL30883981 | 0.85 | CCNE1 (0.62) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL29212659 | 0.85 | CDK2 (0.62) | CDK2CCNE1CDK1CCNB1CCNB2 |
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-A | Pyrimidine quinoxaline CDK inhibitor and preparation method and application thereof | 中国药科大学 | 2024-06-14 | — | — | CN | disclosed |