SCHEMBL6806572

SCHEMBL6806572

NC(=O)c1cccc2nc(-c3cccc(NCCN4CCCC4)n3)[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.74
PIM3 Q86V86 3/20 0.74
AURKB Q96GD4 3/20 0.74
MKNK2 Q9HBH9 3/20 0.74
BRSK1 Q8TDC3 2/20 0.74
FLT3 P36888 1/20 0.74
PRKD3 O94806 2/20 0.57
GSK3A P49840 2/20 0.57
DYRK1A Q13627 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
SRC P12931 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
CLK2 P49760 1/20 0.57
PRKD2 Q9BZL6 1/20 0.57
STK17A Q9UEE5 1/20 0.57
PRKCG P05129 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PRKCD Q05655 1/20 0.46
PARP1 P09874 13/20 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
SCHEMBL6806291 0.87 KDR (0.76) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6806566 0.85 AURKB (1.00) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6805060 0.83 AURKB (0.53) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6811037 0.83 AURKB (0.53) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6801864 0.83 AURKB (0.52) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6805715 0.82 PIM1 (0.51) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6805265 0.81 PIM1 (0.50) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6806897 0.81 PIM1 (0.50) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6805343 0.80 PIM1 (0.65) PIM1PIM3AURKBMKNK2BRSK1
SCHEMBL6800865 0.79 PARP1 (0.52) PIM1PIM3AURKBMKNK2BRSK1

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