SCHEMBL6806556

SCHEMBL6806556

CN(C)CCCOc1ccncc1-c1nc2c(C(N)=O)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN2 Q16513 5/20 0.57
MAP4K4 O95819 3/20 0.57
PIM1 P11309 3/20 0.57
PIM3 Q86V86 3/20 0.57
AURKB Q96GD4 3/20 0.57
CLK4 Q9HAZ1 3/20 0.57
STK17A Q9UEE5 3/20 0.57
DYRK3 O43781 2/20 0.57
RPS6KB1 P23443 2/20 0.57
BRSK1 Q8TDC3 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
MAP4K5 Q9Y4K4 2/20 0.57
CSNK2A1 P68400 1/20 0.57
HIPK2 Q9H2X6 1/20 0.57
PARP1 P09874 13/20 0.53
PKN1 Q16512 4/20 0.52
PHKG2 P15735 2/20 0.52
CLK2 P49760 2/20 0.52
GSK3A P49840 2/20 0.52
DYRK1A Q13627 2/20 0.52

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
SCHEMBL6805372 0.95 PKN2 (0.63) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL6809854 0.91 PIM1 (0.60) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL6810110 0.88 PIM1 (0.66) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL6585579 0.88 PKN2 (0.43) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL6806567 0.85 CHEK2 (0.42) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL3582877 0.83 PARP1 (0.69) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL6585966 0.83 PKN2 (0.48) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL6806262 0.83 AURKB (0.57) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL6806133 0.83 PARP1 (0.75) PKN2MAP4K4PIM1PIM3AURKB
SCHEMBL6809929 0.83 PARP1 (0.65) PKN2MAP4K4PIM1PIM3AURKB

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