SCHEMBL3618702

SCHEMBL3618702

Cc1c(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)ncnc1-n1cncn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.36
GPR119 Q8TDV5 2/20 0.33
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3628717 0.86 CYP1A2 (0.35) CYP1A2CYP2C19CYP2C9RECQLUSP2
SCHEMBL3624289 0.86 MAPK1 (0.36) CYP1A2CYP2C19CYP2C9GPR119
SCHEMBL3625635 0.81 GPR119 (0.33) CYP1A2CYP2C19CYP2C9GPR119
SCHEMBL3626704 0.79 GPR119 (0.34) CYP1A2CYP2C19CYP2C9GPR119
SCHEMBL3624664 0.78 GPR119 (0.35) GPR119
SCHEMBL3660748 0.77 GPR119 (0.33) GPR119
SCHEMBL3624175 0.77 GPR119 (0.38) CYP1A2CYP2C19CYP2C9GPR119
SCHEMBL3627245 0.77 GPR119 (0.38) CYP1A2CYP2C19CYP2C9GPR119
SCHEMBL13140427 0.77 GPR119 (0.33) CYP1A2CYP2C19CYP2C9GPR119
SCHEMBL3626905 0.74 CYP1A2 (0.36) CYP1A2CYP2C19CYP2C9GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO claimed
WO-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed
WO-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed