Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 11/20 | 0.37 |
| ▸ | CDK4 | P11802 | 9/20 | 0.35 |
| ▸ | CCND1 | P24385 | 9/20 | 0.35 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29592215 | 1.00 | CDK6 (0.37) | CDK6CDK4CCND1CDK1CCNT1 | |
| SCHEMBL17459809 | 0.78 | CDK6 (0.54) | CDK6CDK4CCND1CDK1CCNT1 | |
| SCHEMBL20740598 | 0.77 | CDK6 (0.57) | CDK6CDK4CCND1CDK1CCNT1 | |
| SCHEMBL22650377 | 0.74 | CDK6 (0.38) | CDK6CDK4CCND1CDK1CCNT1 | |
| SCHEMBL21795775 | 0.71 | CDK4 (0.35) | CDK6CDK4CCND1CDK2CDK5 | |
| SCHEMBL20356293 | 0.70 | CDK4 (0.31) | CDK6CDK4CCND1 | |
| SCHEMBL15648743 | 0.69 | MAPT (0.36) | SMN1; SMN2 | |
| SCHEMBL19209814 | 0.69 | PAK4 (0.40) | CDK2SMN1; SMN2 | |
| SCHEMBL20356533 | 0.69 | HTR1A (0.33) | — | |
| SCHEMBL30629588 | 0.68 | CCND1 (0.35) | CDK6CDK4CCND1 |
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-108264512-B | Nitrogen-containing fused heterocyclic compound, preparation method, intermediate, composition and application thereof | 上海医药集团股份有限公司 | 2022-05-03 | — | — | CN | disclosed |
| WO-2018121766-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITION, AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2018-07-05 | — | — | WO | disclosed |