SCHEMBL6806464

SCHEMBL6806464

CN1CCN(CCCNc2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.56
AURKB Q96GD4 5/20 0.56
SRC P12931 4/20 0.56
PIM1 P11309 2/20 0.56
PIM3 Q86V86 2/20 0.56
MKNK2 Q9HBH9 2/20 0.56
PRKD3 O94806 1/20 0.56
FLT4 P35916 1/20 0.56
CLK2 P49760 1/20 0.56
GSK3A P49840 1/20 0.56
DYRK1A Q13627 1/20 0.56
PRKD2 Q9BZL6 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
STK17A Q9UEE5 1/20 0.56
AURKA O14965 3/20 0.49
PARP1 P09874 4/20 0.46
FGFR1 P11362 8/20 0.45
DRD3 P35462 1/20 0.42
NMT1 P30419 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL6806329 0.97 KDR (0.53) KDRAURKBSRCPIM1PIM3
SCHEMBL6810479 0.95 AURKB (0.49) KDRAURKBSRCPIM1PIM3
SCHEMBL6800807 0.94 AURKB (0.50) KDRAURKBSRCPIM1PIM3
SCHEMBL6805447 0.92 AURKB (0.48) KDRAURKBSRCPIM1PIM3
SCHEMBL6806577 0.91 AURKB (0.47) KDRAURKBSRCPIM1PIM3
SCHEMBL6803489 0.91 AURKB (0.47) KDRAURKBSRCPIM1PIM3
SCHEMBL6810379 0.90 AURKB (0.53) KDRAURKBSRCPIM1PIM3
SCHEMBL6801165 0.89 AURKB (0.47) KDRAURKBSRCPIM1PIM3
SCHEMBL6805422 0.88 AURKB (0.45) KDRAURKBSRCPIM1PIM3
SCHEMBL6806366 0.88 AURKB (0.51) KDRAURKBSRCPIM1PIM3

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