SCHEMBL4783230

SCHEMBL4783230

CCCc1n[nH]c2ccc(-c3nnc(N[C@](C)(Cc4ccccc4)N4C(=O)c5ccccc5C4=O)s3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 11/20 0.39
PIM1 P11309 11/20 0.39
AKT1 P31749 4/20 0.37
CDK2 P24941 4/20 0.37
PIM2 Q9P1W9 8/20 0.36
CDC7 O00311 6/20 0.34
ROCK1 Q13464 4/20 0.34
AURKA O14965 3/20 0.34
DAPK3 O43293 3/20 0.34
PRKD3 O94806 3/20 0.34
PRKACA P17612 3/20 0.34
CLK2 P49760 3/20 0.34
GSK3B P49841 3/20 0.34
PRKX P51817 3/20 0.34
CDK5 Q00535 3/20 0.34
MAP4K2 Q12851 3/20 0.34
DYRK1A Q13627 3/20 0.34
AURKB Q96GD4 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
MAPK13 O15264 2/20 0.34

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
SCHEMBL4893246 0.78 AKT1 (0.41) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4902461 0.78 AKT1 (0.41) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4895589 0.72 AKT1 (0.47) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4900504 0.72 AKT1 (0.47) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4901166 0.71 AKT1 (0.44) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4901159 0.71 AKT1 (0.44) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4781631 0.66 AKT1 (0.43) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4781629 0.66 AKT1 (0.43) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4899369 0.66 AKT1 (0.50) PIM3PIM1AKT1CDK2PIM2
SCHEMBL4783228 0.65 AKT1 (0.41) PIM3PIM1AKT1CDK2PIM2

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-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 WO disclosed