SCHEMBL4065692

SCHEMBL4065692

O=C(NCCN1CCCCC1)Oc1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
MCHR1 Q99705 9/20 0.41
KCNH2 Q12809 7/20 0.41
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
SCN9A Q15858 2/20 0.38
NTRK1 P04629 1/20 0.38
FLT3 P36888 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4069255 0.99 MCHR1 (0.42) KDRMCHR1KCNH2HPGDHRH3
SCHEMBL4061393 0.92 EPHX2 (0.44) MCHR1SCN9A
SCHEMBL4066271 0.89 SLC6A5 (0.38) HPGDALDH1A1
SCHEMBL2962847 0.88 HPGD (0.47) KDRMCHR1KCNH2HPGDHRH3
SCHEMBL2976410 0.88 HPGD (0.45) KDRMCHR1KCNH2HPGDHRH3
SCHEMBL4064790 0.86 MRGPRX4 (0.39) HPGD
SCHEMBL4068787 0.85 MRGPRX4 (0.40) HPGDALDH1A1
SCHEMBL4072173 0.85 ATM (0.40) MCHR1HPGD
SCHEMBL4069211 0.84 MRGPRX4 (0.41) HPGD
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