SCHEMBL4069255

SCHEMBL4069255

O=C(NCCN1CCCC1)Oc1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.42
KCNH2 Q12809 7/20 0.42
KDR P35968 1/20 0.42
HRH3 Q9Y5N1 3/20 0.39
HPGD P15428 2/20 0.39
SCN9A Q15858 2/20 0.37
ALDH1A1 P00352 1/20 0.36
NTRK1 P04629 1/20 0.36
FLT3 P36888 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SLC6A5 Q9Y345 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
SCHEMBL4065692 0.99 KDR (0.43) MCHR1KCNH2KDRHRH3HPGD
SCHEMBL4061393 0.93 EPHX2 (0.44) MCHR1SCN9A
SCHEMBL4066271 0.89 SLC6A5 (0.38) HPGDALDH1A1SLC6A5
SCHEMBL2976410 0.88 HPGD (0.45) MCHR1KCNH2KDRHRH3HPGD
SCHEMBL2962847 0.88 HPGD (0.47) MCHR1KCNH2KDRHRH3HPGD
SCHEMBL4064790 0.86 MRGPRX4 (0.39) HPGDCYP19A1CYP11B1CYP11B2
SCHEMBL4068787 0.86 MRGPRX4 (0.40) HPGDALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL4072173 0.86 ATM (0.40) MCHR1HPGDCYP19A1CYP11B1CYP11B2
SCHEMBL4069211 0.84 MRGPRX4 (0.41) HPGDCYP19A1CYP11B1CYP11B2
SCHEMBL2973369 0.81 EPHX2 (0.52) HPGDSCN9AALDH1A1

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