SCHEMBL4072173

SCHEMBL4072173

CN(C)CCNC(=O)Oc1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.40
ALOX5 P09917 1/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FYN P06241 1/20 0.37
HPGD P15428 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
SLC6A5 Q9Y345 2/20 0.37
MAOB P27338 1/20 0.36
MCHR1 Q99705 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
SCHEMBL4068088 0.93 FYN (0.40) ATMALOX5FYNMRGPRX4MAOB
SCHEMBL4064790 0.89 MRGPRX4 (0.39) PPARDPPARAPPARGCYP19A1CYP11B1
SCHEMBL4068787 0.89 MRGPRX4 (0.40) PPARDPPARAPPARGCYP19A1CYP11B1
SCHEMBL2973781 0.88 ALOX5 (0.47) ATMALOX5CYP19A1CYP11B1CYP11B2
SCHEMBL4069211 0.87 MRGPRX4 (0.41) PPARDPPARAPPARGCYP19A1CYP11B1
SCHEMBL4069255 0.86 MCHR1 (0.42) CYP19A1CYP11B1CYP11B2HPGDSLC6A5
SCHEMBL4065692 0.85 KDR (0.43) HPGDMCHR1
SCHEMBL4066271 0.85 SLC6A5 (0.38) ATMPPARDPPARAPPARGHPGD
SCHEMBL4061393 0.84 EPHX2 (0.44) MCHR1
SCHEMBL4061701 0.83 SMN1; SMN2 (0.44) CYP19A1CYP11B1CYP11B2SLC6A5

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