SCHEMBL31617121

SCHEMBL31617121

O=c1c(C(F)(F)F)cc(Cl)nn1CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ CNR1 P21554 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ AR P10275 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.30
▸ METAP2 P50579 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL31612758 0.83 BRD9 (0.40) GRIN1GRIN2ALMNAHTTSMN1; SMN2
SCHEMBL31617117 0.80 AURKA (0.36) AURKASYKAURKBCNR1LMNA
SCHEMBL31612727 0.74 COMT (0.37) LMNAHTTSMN1; SMN2MAPTNPSR1
SCHEMBL31612726 0.74 COMT (0.37) LMNAHTTSMN1; SMN2MAPTNPSR1
SCHEMBL25219333 0.73 DGAT1 (0.39) GRIN1GRIN2AAR
SCHEMBL24739013 0.73 NPBWR1 (0.52) AURKAAURKBMAPT
SCHEMBL31612718 0.69 BRD4 (0.36) ARNOTUM
SCHEMBL4223674 0.67 CNR1 (0.33) AURKASYKAURKBCNR1ALDH1A1
SCHEMBL31617113 0.66 AURKA (0.41) AURKASYKAURKBCNR1LMNA
SCHEMBL25305648 0.64 AKR1C3 (0.38) SMN1; SMN2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119372-A2 MRGPRX2 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-06-12 — — WO disclosed
Send feedback