SCHEMBL4069211

SCHEMBL4069211

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
GRM5 P41594 1/20 0.39
HPGD P15428 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
PPARG P37231 4/20 0.38
MAOB P27338 1/20 0.37
ADRB2 P07550 1/20 0.37
PDE2A O00408 1/20 0.37
RIPK1 Q13546 1/20 0.37
RIPK3 Q9Y572 1/20 0.37

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
SCHEMBL4073758 0.92 MRGPRX4 (0.41) MRGPRX4CYP19A1CYP11B1CYP11B2GRM5
SCHEMBL4068787 0.91 MRGPRX4 (0.40) MRGPRX4CYP19A1CYP11B1CYP11B2PPARD
SCHEMBL4064790 0.88 MRGPRX4 (0.39) MRGPRX4CYP19A1CYP11B1CYP11B2PPARD
SCHEMBL4072173 0.87 ATM (0.40) MRGPRX4CYP19A1CYP11B1CYP11B2PPARD
SCHEMBL2975296 0.86 RIPK1 (0.47) MRGPRX4CYP19A1CYP11B1CYP11B2PPARD
SCHEMBL4061701 0.84 SMN1; SMN2 (0.44) CYP19A1CYP11B1CYP11B2ADRB2
SCHEMBL4069255 0.84 MCHR1 (0.42) CYP19A1CYP11B1CYP11B2HPGD
SCHEMBL13202025 0.84 MRGPRX4 (0.53) MRGPRX4CYP19A1CYP11B1CYP11B2PPARD
SCHEMBL4065692 0.84 KDR (0.43) HPGD
SCHEMBL4072391 0.84 MRGPRX4 (0.40) MRGPRX4CYP19A1CYP11B1CYP11B2GRM5

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