Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 10/20 | 0.37 |
| ▸ | BCR | P11274 | 10/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 7/20 | 0.34 |
| ▸ | BRAF | P15056 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29921318 | 0.93 | ABL1 (0.39) | ABL1BCRHDAC3HDAC1HDAC2 | |
| SCHEMBL29921365 | 0.90 | ABL1 (0.48) | ABL1BCRRAF1BRAF | |
| SCHEMBL29921619 | 0.90 | ADORA2A (0.39) | ABL1BCRHDAC3HDAC1HDAC2 | |
| SCHEMBL29921974 | 0.85 | ABL1 (0.44) | ABL1BCRHDAC3HDAC1HDAC2 | |
| SCHEMBL29071497 | 0.83 | ABL1 (0.42) | ABL1BCRRAF1BRAF | |
| SCHEMBL29921498 | 0.83 | ABL1 (0.42) | ABL1BCRRAF1BRAF | |
| SCHEMBL29921621 | 0.83 | ABL1 (0.38) | ABL1BCRRAF1BRAF | |
| SCHEMBL29921871 | 0.82 | ABL1 (0.38) | ABL1BCRHDAC3HDAC1HDAC2 | |
| SCHEMBL29921587 | 0.82 | ABL1 (0.33) | ABL1BCRHDAC3HDAC1HDAC2 | |
| SCHEMBL29921458 | 0.82 | ABL1 (0.47) | ABL1BCRRAF1BRAFALDH1A1 |
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 |