Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 19/20 | 0.52 |
| ▸ | CDK6 | Q00534 | 15/20 | 0.52 |
| ▸ | CCND3 | P30281 | 3/20 | 0.52 |
| ▸ | CCND1 | P24385 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 14/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.48 |
| ▸ | CDK1 | P06493 | 9/20 | 0.46 |
| ▸ | CDK9 | P50750 | 5/20 | 0.46 |
| ▸ | CDK7 | P50613 | 4/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29709819 | 1.00 | CDK4 (0.52) | CDK4CDK6CCND3CCND1HDAC1 | |
| Water SCHEMBL29709879 | 0.99 | CDK4 (0.52) | CDK4CDK6CCND3CCND1HDAC1 | |
| Water SCHEMBL28359822 | 0.99 | CDK4 (0.52) | CDK4CDK6CCND3CCND1HDAC1 | |
| SCHEMBL19968025 | 0.91 | CDK4 (0.57) | CDK4CDK6CCND3CCND1HDAC1 | |
| SCHEMBL29402884 | 0.91 | CDK4 (0.57) | CDK4CDK6CCND3CCND1HDAC1 | |
| SCHEMBL29405233 | 0.81 | CDK4 (0.64) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL19968037 | 0.81 | CDK4 (0.64) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL28487809 | 0.76 | CDK4 (0.56) | CDK4CDK6CCND3CCND1HDAC1 | |
| SCHEMBL19968106 | 0.75 | CDK6 (0.51) | CDK4CDK6CCND3CCND1HDAC1 | |
| SCHEMBL17488982 | 0.75 | CDK6 (0.69) | CDK6CCND1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110790748-B | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-04-19 | — | — | CN | claimed |
| CN-110790748-A | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-02-14 | — | — | CN | claimed |
| CN-110790748-B | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-110790748-B | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-110790748-A | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-02-14 | — | — | CN | disclosed |
| CN-110790748-A | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-02-14 | — | — | CN | disclosed |