SCHEMBL874339

SCHEMBL874339

CCNc1cc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)ccc1C(=O)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
RIPK1 Q13546 1/20 0.39
MAPT P10636 4/20 0.38
CHRNA7 P36544 2/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NAMPT P43490 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CSF1R P07333 2/20 0.36
AKT1 P31749 2/20 0.36
PRKCG P05129 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
SCHEMBL874210 0.86 MAPT (0.40) RIPK1MAPTCHRNA7ROCK2ROCK1
SCHEMBL874058 0.83 NAMPT (0.42) MKNK2CHRNA7NAMPTNPSR1DYRK1A
SCHEMBL874059 0.82 NAMPT (0.41) MKNK1MKNK2MAPTCHRNA7NPC1
SCHEMBL874835 0.78 MEN1 (0.43) MAPTCHRNA7ROCK2GAANPC1
SCHEMBL874680 0.76 NPC1 (0.46) MAPTTP53GAANPC1RAB9A
SCHEMBL873877 0.76 CHRNA7 (0.42) RIPK1MAPTCHRNA7ROCK2NPC1
SCHEMBL875385 0.76 MAPT (0.40) MAPTCHRNA7ROCK1TP53NPC1
SCHEMBL874837 0.75 KMT2A (0.37) MAPTCHRNA7ROCK1NPC1RAB9A
SCHEMBL874570 0.74 MOK (0.43) MAPTCHRNA7ROCK1TP53NPC1
SCHEMBL874246 0.74 PDE4B (0.44) MAPTCHRNA7TP53NPC1RAB9A

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-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed