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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.63 |
| ▸ | CHEK1 | O14757 | 18/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 15/20 | 0.70 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.63 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.63 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.63 |
| ▸ | BLK | P51451 | 1/20 | 0.63 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.63 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.63 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL29632518 | 1.00 | CHEK1 (0.70) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| SCHEMBL24945094 | 0.89 | CHEK1 (0.87) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| SCHEMBL29632307 | 0.89 | CHEK1 (0.87) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Phosphoric Acid SCHEMBL29632569 | 0.88 | CHEK1 (0.79) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| SCHEMBL24936228 | 0.83 | CHEK1 (1.00) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL30469104 | 0.82 | CHEK1 (0.90) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL30093159 | 0.82 | CHEK1 (0.90) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL1971724 | 0.82 | CHEK1 (0.90) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL20591301 | 0.82 | CHEK1 (0.90) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL30093147 | 0.82 | CHEK1 (0.90) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116546974-A | 5-heteroaryl-1H-pyrazol-3-amine derivatives | 住友制药株式会社 | 2023-08-04 | — | — | CN | disclosed |