SCHEMBL4072391

SCHEMBL4072391

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
GPR132 Q9UNW8 1/20 0.39
GRM5 P41594 1/20 0.39
GRM4 Q14833 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PTGER1 P34995 1/20 0.37
MAOB P27338 1/20 0.37
ADRB2 P07550 1/20 0.37
FAAH O00519 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDE2A O00408 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 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
SCHEMBL4068787 0.92 MRGPRX4 (0.40) MRGPRX4GRM5MAOBADRB2CYP19A1
SCHEMBL4073758 0.92 MRGPRX4 (0.41) MRGPRX4GPR132GRM5CYSLTR2CYSLTR1
SCHEMBL4066534 0.90 MRGPRX4 (0.40) MRGPRX4GPR132GRM5PTGER1ADRB2
SCHEMBL4068088 0.90 FYN (0.40) MRGPRX4GPR132GRM5MAOBPDK1
SCHEMBL4065690 0.89 BRD4 (0.39) MRGPRX4GPR132GRM5ADRB2FAAH
SCHEMBL4066415 0.87 GPR132 (0.46) GPR132ADRB2FAAHCYP19A1CYP11B1
SCHEMBL2975969 0.87 GPR132 (0.43) MRGPRX4GPR132PTGER1MAOBCYP19A1
SCHEMBL4069211 0.84 MRGPRX4 (0.41) MRGPRX4GRM5MAOBADRB2CYP19A1
SCHEMBL4064790 0.83 MRGPRX4 (0.39) MRGPRX4GRM5ADRB2CYP19A1CYP11B1
SCHEMBL2969649 0.82 MRGPRX4 (0.44) MRGPRX4GPR132PTGER1CYP19A1CYP11B1

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