SCHEMBL6586907

SCHEMBL6586907

NC(=O)Oc1cccc2[nH]c(-c3cccnc3NCCN3CCN(Cc4ccccc4)CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.44
KDR P35968 2/20 0.44
AURKA O14965 1/20 0.44
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
FLT3 P36888 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
PARP1 P09874 9/20 0.42
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
APP P05067 2/20 0.41
FAAH O00519 1/20 0.39
PRKD3 O94806 1/20 0.39
SRC P12931 1/20 0.39
FLT4 P35916 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
DYRK1A Q13627 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39

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
SCHEMBL6591156 0.95 KDR (0.45) AURKBKDRAURKAPIM1PIM3
SCHEMBL6586195 0.90 AURKB (0.48) AURKBKDRAURKAPIM1PIM3
SCHEMBL6587874 0.90 PIM1 (0.52) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6587326 0.89 AURKB (0.51) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6587070 0.89 AURKB (0.51) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6588369 0.89 PIM1 (0.47) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6801473 0.88 AURKB (0.57) AURKBKDRAURKAPIM1PIM3
SCHEMBL6589689 0.88 CARM1 (0.44) AURKBKDRPIM1PIM3MKNK2
SCHEMBL6591524 0.85 AURKB (0.55) AURKBKDRAURKAPIM1PIM3
SCHEMBL6585926 0.85 PIM1 (0.47) 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
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed