Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 12/20 | 0.37 |
| ▸ | BCR | P11274 | 9/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | TTK | P33981 | 4/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.31 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071532 | 0.82 | ABL1 (0.43) | ABL1BCRTTKDYRK1AGSK3B | |
| SCHEMBL29921358 | 0.82 | ABL1 (0.43) | ABL1BCRTTKDYRK1AGSK3B | |
| SCHEMBL30523358 | 0.80 | ABL1 (0.35) | ABL1BCR | |
| SCHEMBL29921924 | 0.79 | ABL1 (0.50) | ABL1BCR | |
| SCHEMBL29921666 | 0.78 | ABL1 (0.45) | ABL1BCR | |
| SCHEMBL29921623 | 0.77 | ABL1 (0.48) | ABL1BCR | |
| SCHEMBL29921410 | 0.76 | ABL1 (0.59) | ABL1BCR | |
| SCHEMBL29921830 | 0.76 | ABL1 (0.52) | ABL1BCR | |
| SCHEMBL29921959 | 0.76 | ABL1 (0.61) | ABL1BCR | |
| SCHEMBL30523353 | 0.74 | PDE1B (0.35) | — |
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-116761801-A | Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same | 四川科伦博泰生物医药股份有限公司 | 2023-09-15 | — | — | CN | disclosed |
| WO-2022188792-A1 | HETEROCYCLIC COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-09-15 | — | — | WO | disclosed |