SCHEMBL4064790

SCHEMBL4064790

COCCNC(=O)Oc1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
PPARG P37231 4/20 0.39
HPGD P15428 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PDE2A O00408 1/20 0.38
GRM5 P41594 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
SCHEMBL4066534 0.93 MRGPRX4 (0.40) MRGPRX4KDM4ETDP1HPGDCYP1A2
SCHEMBL4068787 0.90 MRGPRX4 (0.40) MRGPRX4KDM4EPPARDPPARAPPARG
SCHEMBL4072173 0.89 ATM (0.40) MRGPRX4PPARDPPARAPPARGHPGD
SCHEMBL2970729 0.88 HPGD (0.47) MRGPRX4KDM4EHPGDCYP1A2CYP2C9
SCHEMBL4065690 0.88 BRD4 (0.39) MRGPRX4ADRB2PDE2AGRM5
SCHEMBL4069211 0.88 MRGPRX4 (0.41) MRGPRX4PPARDPPARAPPARGHPGD
SCHEMBL4069255 0.86 MCHR1 (0.42) HPGDCYP19A1CYP11B1CYP11B2
SCHEMBL4065692 0.86 KDR (0.43) HPGD
SCHEMBL4066271 0.85 SLC6A5 (0.38) PPARDPPARAPPARGHPGD
SCHEMBL4061393 0.84 EPHX2 (0.44) MAPK1

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