SCHEMBL3589367

SCHEMBL3589367

CCOC(=O)c1cccc2[nH]c(-c3cccc(OCCN(CC)CC)c3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.65
PIM1 P11309 3/20 0.65
PIM3 Q86V86 3/20 0.65
AURKB Q96GD4 3/20 0.65
CLK4 Q9HAZ1 3/20 0.65
STK17A Q9UEE5 3/20 0.65
MAP4K5 Q9Y4K4 3/20 0.65
CLK2 P49760 2/20 0.65
MAP4K2 Q12851 2/20 0.65
DYRK1A Q13627 2/20 0.65
PRKD2 Q9BZL6 2/20 0.65
PKN2 Q16513 2/20 0.65
DYRK3 O43781 1/20 0.65
RPS6KB1 P23443 1/20 0.65
CSNK2A1 P68400 1/20 0.65
BRSK1 Q8TDC3 1/20 0.65
HIPK2 Q9H2X6 1/20 0.65
MKNK2 Q9HBH9 1/20 0.65
CHEK1 O14757 1/20 0.65
LCK P06239 1/20 0.65

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
SCHEMBL3580805 0.90 MAP4K4 (0.79) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3577449 0.89 PIM1 (0.82) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3585973 0.87 PIM1 (0.67) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6581316 0.85 MAP4K4 (0.55) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3589372 0.85 ADORA2A (0.55) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3578575 0.84 PIM1 (0.77) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6581364 0.81 MAP4K4 (0.62) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6948231 0.79 PARP1 (0.69) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6580865 0.79 MAP4K4 (0.57) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3575237 0.79 MAP4K4 (1.00) MAP4K4PIM1PIM3AURKBCLK4

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-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed