SCHEMBL6591908

SCHEMBL6591908

NC(=O)Oc1cccc2[nH]c(-c3cccnc3NCCCN3CCCCC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.47
PIM1 P11309 2/20 0.46
PIM3 Q86V86 2/20 0.46
AURKB Q96GD4 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
FLT3 P36888 1/20 0.46
BRSK1 Q8TDC3 1/20 0.46
PRKD3 O94806 1/20 0.46
SRC P12931 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
DYRK1A Q13627 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
STK17A Q9UEE5 1/20 0.46
DHODH Q02127 1/20 0.44
S100A4 P26447 1/20 0.41
ACP1 P24666 1/20 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
SCHEMBL6588132 1.00 PARP1 (0.47) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6585926 0.99 PIM1 (0.47) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6587070 0.95 AURKB (0.51) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6587326 0.95 AURKB (0.51) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6587874 0.94 PIM1 (0.52) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6587995 0.93 PIM1 (0.47) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6591524 0.93 AURKB (0.55) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6591156 0.90 KDR (0.45) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6585142 0.88 PIM1 (0.42) PARP1PIM1PIM3AURKBMKNK2
SCHEMBL6588369 0.87 PIM1 (0.47) PARP1PIM1PIM3AURKBMKNK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
EP-1177178-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed