SCHEMBL6587474

SCHEMBL6587474

NC(=O)Oc1cccc2[nH]c(-c3ccc(NCCN4CCCC4)nc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.54
PIM1 P11309 2/20 0.54
PIM3 Q86V86 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
FLT3 P36888 1/20 0.54
BRSK1 Q8TDC3 1/20 0.54
PARP1 P09874 12/20 0.49
DHODH Q02127 5/20 0.49
AURKA O14965 2/20 0.45
MAP3K11 Q16584 1/20 0.42
KDR P35968 3/20 0.42
PRKD3 O94806 1/20 0.42
SRC P12931 1/20 0.42
FLT4 P35916 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
DYRK1A Q13627 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42

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
SCHEMBL6585672 0.99 AURKB (0.54) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6583706 0.94 AURKB (0.50) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6584805 0.94 AURKB (0.48) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6587027 0.94 AURKB (0.48) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6585555 0.93 AURKB (0.50) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6587436 0.93 AURKB (0.49) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6588334 0.92 AURKB (0.49) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6588008 0.91 AURKB (0.53) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6587823 0.90 AURKB (0.55) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6586447 0.89 AURKB (0.46) AURKBPIM1PIM3MKNK2FLT3

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 4 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-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed