Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.49 |
| ▸ | BRAF | P15056 | 10/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.42 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16380694 | 1.00 | PARP1 (0.49) | PARP1BRAFCYP2C9KIF11OPRK1 | |
| SCHEMBL29537057 | 0.85 | RXRA (0.49) | BRAFCYP2C9KIF11ACHE | |
| SCHEMBL15948892 | 0.85 | BRAF (0.48) | BRAFCYP2C9KIF11 | |
| SCHEMBL825726 | 0.85 | RXRA (0.49) | BRAFCYP2C9KIF11ACHE | |
| SCHEMBL827199 | 0.83 | BRAF (0.46) | BRAFCYP2C9ACHE | |
| SCHEMBL15946924 | 0.83 | ACHE (0.50) | BRAFCYP2C9ACHE | |
| SCHEMBL28294064 | 0.82 | ATM (0.53) | BRAFCYP2C9 | |
| SCHEMBL1697911 | 0.81 | BRAF (0.47) | BRAFCYP2C9 | |
| SCHEMBL29878170 | 0.81 | BRAF (0.47) | BRAFCYP2C9 | |
| SCHEMBL179447 | 0.80 | ACHE (0.62) | PARP1KIF11ACHE |
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 7 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 |
| CN-116710453-A | Kinase inhibitors and uses thereof | 璧辰医药技术股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| EP-4192582-A1 | KINASE INHIBITORS AND USES THEREOF | ABM Therapeutics Corporation (US) | 2023-06-14 | — | — | EP | disclosed |
| CN-111606887-B | Novel kinase inhibitor | 安徽中科拓苒药物科学研究有限公司 | 2023-03-17 | — | — | 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 |
| EP-3412670-B1 | PYRIDINE DERIVATIVES INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USE THEREOF | SAMJIN PHARM CO LTD (KR) | 2022-03-09 | — | — | EP | disclosed |
| WO-2022032071-A1 | KINASE INHIBITORS AND USES THEREOF | ABM THERAPEUTICS CORPORATION (US) | 2022-02-10 | — | — | WO | disclosed |