SCHEMBL4065847

SCHEMBL4065847

N[N+]12C=CN=CC1=C(C1CC(O)C1)N=C2c1cc2nc(-c3cccs3)ccc2cc1F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL401954 0.91 KDM4E (0.31) KDM4ENPC1ALDH1A1RAB9AHSD17B10
SCHEMBL4068559 0.88
SCHEMBL399693 0.87 KDM4E (0.35) KDM4ENPC1ALDH1A1RAB9AHSD17B10
SCHEMBL4063195 0.87
SCHEMBL399767 0.85
SCHEMBL4074225 0.82
SCHEMBL4066073 0.81
SCHEMBL4063671 0.80
SCHEMBL4061865 0.80 KDM4E (0.32) KDM4ENPC1ALDH1A1RAB9AHSD17B10
SCHEMBL400240 0.79 IGF1R (0.31)

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-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP claimed