SCHEMBL6811032

SCHEMBL6811032

NC(=O)c1cccc2nc(-c3cccnc3NCCCN3CCCCC3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.45
PIM3 Q86V86 2/20 0.45
AURKB Q96GD4 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
FLT3 P36888 1/20 0.45
BRSK1 Q8TDC3 1/20 0.45
PRKD3 O94806 1/20 0.44
SRC P12931 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
DYRK1A Q13627 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
STK17A Q9UEE5 1/20 0.44
S100A4 P26447 1/20 0.43
PARP1 P09874 2/20 0.43
DRD2 P14416 1/20 0.42
ACP1 P24666 2/20 0.41

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
SCHEMBL6805548 1.00 PIM1 (0.45) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6807423 0.99 PIM1 (0.45) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6805265 0.95 PIM1 (0.50) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6806897 0.95 PIM1 (0.50) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6805715 0.94 PIM1 (0.51) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6803660 0.92 PIM1 (0.46) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6805777 0.92 PRKD3 (0.53) PIM1PIM3AURKBMKNK2PRKD3
SCHEMBL6810078 0.89 DRD2 (0.45) PIM1PIM3AURKBMKNK2PRKD3
SCHEMBL6806591 0.88 MCHR1 (0.42) PIM1PIM3AURKBMKNK2PRKD3
SCHEMBL6805542 0.87 AURKB (0.61) PIM1PIM3AURKBMKNK2FLT3

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed