SCHEMBL4312874

SCHEMBL4312874

N#Cc1cccc([C@@H](C(N)=O)C(=O)NCc2ccc(N)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.55
NAMPT P43490 3/20 0.41
MASP2 O00187 3/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
MCHR1 Q99705 1/20 0.39
NOS1 P29475 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL4306839 0.84 NAMPT (0.47) VNN1NAMPTMASP2
SCHEMBL4309422 0.84 NAMPT (0.43) VNN1NAMPTMASP2
SCHEMBL4308748 0.84 MASP2 (0.44) VNN1NAMPTMASP2
SCHEMBL4303439 0.83 NAMPT (0.53) NAMPTMASP2
SCHEMBL4304420 0.81 MEN1 (0.47) NAMPTMASP2
SCHEMBL3148809 0.81 VNN1 (0.55) VNN1NAMPTMASP2ERCC1ERCC4
SCHEMBL4309586 0.81 F2 (0.45) VNN1NAMPT
SCHEMBL4308746 0.78 NAMPT (0.41) NAMPTMASP2
SCHEMBL4305726 0.78 NAMPT (0.45) VNN1NAMPTMASP2
SCHEMBL4307976 0.78 NAMPT (0.49) NAMPTMASP2

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
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed