SCHEMBL4309586

SCHEMBL4309586

NC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
VNN1 O95497 3/20 0.44
TACR1 P25103 1/20 0.44
POLB P06746 1/20 0.43
CDK8 P49336 3/20 0.41
CDK7 P50613 1/20 0.41
CDK6 Q00534 1/20 0.41
PNMT P11086 1/20 0.41
EPHX1 P07099 1/20 0.41
NAMPT P43490 2/20 0.41
DHFR P00374 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
PDPK1 O15530 1/20 0.40

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
SCHEMBL4318894 0.87 MEN1 (0.45) MEN1KMT2ATACR1POLBNAMPT
SCHEMBL4306839 0.86 NAMPT (0.47) MEN1KMT2AVNN1CDK8NAMPT
SCHEMBL4309422 0.84 NAMPT (0.43) VNN1CDK8NAMPT
SCHEMBL4308748 0.84 MASP2 (0.44) F2MEN1KMT2AVNN1CDK8
SCHEMBL4303439 0.83 NAMPT (0.53) F2MEN1KMT2APOLBNAMPT
SCHEMBL3153097 0.81 F2 (0.49) F2MEN1KMT2ACDK8CDK7
SCHEMBL4312874 0.81 VNN1 (0.55) VNN1NAMPT
SCHEMBL4304420 0.81 MEN1 (0.47) MEN1KMT2APOLBCDK8NAMPT
SCHEMBL4305726 0.80 NAMPT (0.45) MEN1KMT2AVNN1NAMPTPDPK1
SCHEMBL4307976 0.80 NAMPT (0.49) MEN1KMT2ANAMPTPDPK1

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