SCHEMBL4066534

SCHEMBL4066534

COCCNC(=O)Oc1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
GPR132 Q9UNW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 1/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRM5 P41594 1/20 0.36
ADRB2 P07550 1/20 0.36
PDE2A O00408 1/20 0.36
GAA P10253 1/20 0.36
PTGER1 P34995 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL4065690 0.95 BRD4 (0.39) MRGPRX4GPR132BRD4GRM5ADRB2
SCHEMBL4064790 0.93 MRGPRX4 (0.39) MRGPRX4KDM4ETDP1MAPK1CYP1A2
SCHEMBL4072391 0.90 MRGPRX4 (0.40) MRGPRX4GPR132KDM4ECYP1A2CYP2C9
SCHEMBL4068088 0.90 FYN (0.40) MRGPRX4GPR132GRM5
SCHEMBL2973144 0.89 HPGD (0.45) MRGPRX4GPR132KDM4EMAPK1CYP1A2
SCHEMBL4073758 0.89 MRGPRX4 (0.41) MRGPRX4GPR132GRM5PTGER1HSD17B13
SCHEMBL4066415 0.85 GPR132 (0.46) GPR132MAPK1HPGDADRB2
SCHEMBL2966243 0.84 KMT2A (0.43) MRGPRX4GPR132MAPK1CYP1A2CYP2C9
SCHEMBL4068787 0.83 MRGPRX4 (0.40) MRGPRX4KDM4ECYP1A2CYP2C9HPGD
SCHEMBL4072173 0.83 ATM (0.40) MRGPRX4HPGD

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
EP-1658289-B1 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARM INC (US) 2009-03-18 EP claimed