SCHEMBL6811029

SCHEMBL6811029

NC(=O)c1cccc2[nH]c(-c3ccnc(NCCN4CCCC4)c3)nc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.72
PIM1 P11309 3/20 0.72
PIM3 Q86V86 3/20 0.72
MKNK2 Q9HBH9 3/20 0.72
BRSK1 Q8TDC3 2/20 0.72
FLT3 P36888 1/20 0.72
PARP1 P09874 15/20 0.63
DHODH Q02127 3/20 0.61
PRKD3 O94806 2/20 0.56
CLK2 P49760 2/20 0.56
GSK3A P49840 2/20 0.56
DYRK1A Q13627 2/20 0.56
PRKD2 Q9BZL6 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
STK17A Q9UEE5 2/20 0.56
SRC P12931 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
PKN1 Q16512 2/20 0.56
PKN2 Q16513 2/20 0.56

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
SCHEMBL6806475 0.88 AURKB (0.74) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL6805047 0.87 AURKB (0.72) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL7162295 0.87 PIM1 (0.69) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL6585214 0.86 AURKB (0.54) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL6801852 0.86 AURKB (0.71) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL6811037 0.86 AURKB (0.53) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL6806566 0.84 AURKB (1.00) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL6805709 0.81 AURKB (0.69) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL6806960 0.81 PIM1 (0.63) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL6810656 0.81 AURKB (0.66) AURKBPIM1PIM3MKNK2BRSK1

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