SCHEMBL6590976

SCHEMBL6590976

CN1CCN(CCCNc2cc(-c3nc4c(OC(N)=O)cccc4[nH]3)ccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.57
AURKB Q96GD4 4/20 0.57
SRC P12931 3/20 0.57
PIM1 P11309 2/20 0.57
PIM3 Q86V86 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
PRKD3 O94806 1/20 0.57
FLT4 P35916 1/20 0.57
CLK2 P49760 1/20 0.57
GSK3A P49840 1/20 0.57
DYRK1A Q13627 1/20 0.57
PRKD2 Q9BZL6 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
STK17A Q9UEE5 1/20 0.57
PARP1 P09874 5/20 0.48
FGFR1 P11362 6/20 0.43
AURKA O14965 2/20 0.43
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
FLT3 P36888 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
SCHEMBL6591260 0.89 KDR (0.57) KDRAURKBSRCPIM1PIM3
SCHEMBL6585214 0.88 AURKB (0.54) KDRAURKBSRCPIM1PIM3
SCHEMBL6806475 0.87 AURKB (0.74) KDRAURKBSRCPIM1PIM3
SCHEMBL6588006 0.86 AURKB (0.54) KDRAURKBSRCPIM1PIM3
SCHEMBL6591474 0.86 AURKB (0.77) KDRAURKBSRCPIM1PIM3
SCHEMBL6591524 0.84 AURKB (0.55) KDRAURKBSRCPIM1PIM3
SCHEMBL6586626 0.83 PIM1 (0.54) KDRAURKBSRCPIM1PIM3
SCHEMBL6585555 0.83 AURKB (0.50) KDRAURKBSRCPIM1PIM3
SCHEMBL6591233 0.83 AURKB (0.51) KDRAURKBSRCPIM1PIM3
SCHEMBL6589590 0.81 PIM1 (0.47) KDRAURKBPIM1PIM3MKNK2

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