Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 19/20 | 1.00 |
| ▸ | CCND1 | P24385 | 15/20 | 1.00 |
| ▸ | PIM1 | P11309 | 2/20 | 0.58 |
| ▸ | CDK4 | P11802 | 6/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.55 |
| ▸ | CDK2 | P24941 | 3/20 | 0.55 |
| ▸ | CDK9 | P50750 | 3/20 | 0.55 |
| ▸ | CCND3 | P30281 | 3/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.55 |
| ▸ | CDK7 | P50613 | 1/20 | 0.55 |
| ▸ | CCNH | P51946 | 1/20 | 0.55 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL24710242 | 0.91 | CDK6 (1.00) | CDK6CCND1PIM1CDK4CCNT1 | |
| SCHEMBL24710111 | 0.85 | CCND1 (1.00) | CDK6CCND1CDK4 | |
| SCHEMBL24710252 | 0.84 | CDK6 (1.00) | CDK6CCND1PIM1CDK4CCNT1 | |
| SCHEMBL24710258 | 0.82 | CCND1 (0.70) | CDK6CCND1CDK4 | |
| SCHEMBL28409021 | 0.81 | CDK6 (0.80) | CDK6CCND1PIM1CDK4CCNT1 | |
| SCHEMBL29683983 | 0.80 | CDK6 (0.69) | CDK6CCND1PIM1CDK4CCNT1 | |
| SCHEMBL24483262 | 0.80 | CDK6 (0.69) | CDK6CCND1PIM1CDK4CCNT1 | |
| Hydrochloric Acid SCHEMBL29684277 | 0.80 | CDK6 (0.68) | CDK6CCND1PIM1CDK4CCNT1 | |
| SCHEMBL30541018 | 0.80 | CDK6 (0.68) | CDK6CCND1PIM1CDK4CCNT1 | |
| Hydrochloric Acid SCHEMBL28699192 | 0.79 | CDK6 (0.77) | CDK6CCND1PIM1CDK4CCNT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022257568-A1 | AZAINDOLE PYRIMIDINAMINE HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2022-12-15 | — | — | WO | disclosed |