SCHEMBL3577822

SCHEMBL3577822

CN(C)CCOc1cccc(-c2nc3cccc(C(N)=O)c3[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.72
PIM1 P11309 2/20 0.72
PIM3 Q86V86 2/20 0.72
AURKB Q96GD4 2/20 0.72
CLK4 Q9HAZ1 2/20 0.72
STK17A Q9UEE5 2/20 0.72
MAP4K5 Q9Y4K4 2/20 0.72
RPS6KB1 P23443 2/20 0.72
DYRK3 O43781 1/20 0.72
CSNK2A1 P68400 1/20 0.72
PKN2 Q16513 1/20 0.72
BRSK1 Q8TDC3 1/20 0.72
HIPK2 Q9H2X6 1/20 0.72
MKNK2 Q9HBH9 1/20 0.72
CHEK2 O96017 2/20 0.61
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
PARP1 P09874 2/20 0.47
ACHE P22303 1/20 0.47
CHEK1 O14757 1/20 0.46

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
SCHEMBL3577456 0.90 MAP4K4 (0.59) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3580302 0.87 DYRK3 (0.54) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3578582 0.87 CHEK2 (0.56) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3575207 0.86 DYRK3 (0.53) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3586495 0.85 ADORA2A (0.56) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3577816 0.84 MAP4K4 (1.00) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL14091289 0.83 ADORA2A (0.59) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL31053400 0.82 PARP1 (0.67) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL7137103 0.82 PARP1 (0.55) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3585981 0.81 ADORA2A (0.55) 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