SCHEMBL4073758

SCHEMBL4073758

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
GRM5 P41594 1/20 0.40
GPR132 Q9UNW8 1/20 0.39
PTGER1 P34995 1/20 0.38
SCN9A Q15858 2/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
PPARG P37231 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
ALOX5AP P20292 1/20 0.36

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
SCHEMBL4069211 0.92 MRGPRX4 (0.41) MRGPRX4GRM5CYP19A1CYP11B1CYP11B2
SCHEMBL4072391 0.92 MRGPRX4 (0.40) MRGPRX4GRM5GPR132PTGER1CYP19A1
SCHEMBL4066534 0.89 MRGPRX4 (0.40) MRGPRX4GRM5GPR132PTGER1HSD17B13
SCHEMBL4068088 0.88 FYN (0.40) MRGPRX4GRM5GPR132PDK1PDK2
SCHEMBL4065690 0.87 BRD4 (0.39) MRGPRX4GRM5GPR132
SCHEMBL2969649 0.87 MRGPRX4 (0.44) MRGPRX4GPR132PTGER1SCN9ACYP19A1
SCHEMBL4066415 0.86 GPR132 (0.46) GPR132SCN9ACYP19A1CYP11B1CYP11B2
SCHEMBL4068787 0.83 MRGPRX4 (0.40) MRGPRX4GRM5CYP19A1CYP11B1CYP11B2
SCHEMBL2975969 0.82 GPR132 (0.43) MRGPRX4GPR132PTGER1CYP19A1CYP11B1
SCHEMBL4064790 0.81 MRGPRX4 (0.39) MRGPRX4GRM5CYP19A1CYP11B1CYP11B2

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