SCHEMBL6803489

SCHEMBL6803489

NC(=O)c1cccc2nc(-c3ccc(NCCCN4CCNCC4)nc3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 6/20 0.47
KDR P35968 3/20 0.47
PIM1 P11309 2/20 0.47
PIM3 Q86V86 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
PRKD3 O94806 1/20 0.47
SRC P12931 1/20 0.47
FLT4 P35916 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
DYRK1A Q13627 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
STK17A Q9UEE5 1/20 0.47
AURKA O14965 3/20 0.45
FLT3 P36888 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
PARP1 P09874 5/20 0.41
DHODH Q02127 2/20 0.39
TBK1 Q9UHD2 2/20 0.38

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
SCHEMBL6805422 0.97 AURKB (0.45) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6807525 0.95 AURKB (0.47) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6810673 0.91 AURKB (0.49) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6806464 0.91 KDR (0.56) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6800807 0.90 AURKB (0.50) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6810379 0.88 AURKB (0.53) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6805447 0.88 AURKB (0.48) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6806329 0.88 KDR (0.53) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6805060 0.87 AURKB (0.53) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6803460 0.87 AURKB (0.64) AURKBKDRPIM1PIM3MKNK2

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