SCHEMBL3575199

SCHEMBL3575199

NCCCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.76
PIM1 P11309 2/20 0.76
PIM3 Q86V86 2/20 0.76
AURKB Q96GD4 2/20 0.76
CLK4 Q9HAZ1 2/20 0.76
STK17A Q9UEE5 2/20 0.76
MAP4K5 Q9Y4K4 2/20 0.76
PKN2 Q16513 2/20 0.76
DYRK3 O43781 1/20 0.76
RPS6KB1 P23443 1/20 0.76
CSNK2A1 P68400 1/20 0.76
BRSK1 Q8TDC3 1/20 0.76
HIPK2 Q9H2X6 1/20 0.76
MKNK2 Q9HBH9 1/20 0.76
PARP1 P09874 16/20 0.71
CHEK2 O96017 1/20 0.59
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59

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
SCHEMBL3580297 0.94 MAP4K4 (0.77) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL27743013 0.87 PARP1 (0.77) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3577816 0.86 MAP4K4 (1.00) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3578575 0.86 PIM1 (0.77) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6584116 0.85 DYRK3 (0.56) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3577449 0.85 PIM1 (0.82) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL4321727 0.83 PARP1 (1.00) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3575207 0.83 DYRK3 (0.53) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3584420 0.82 MAP4K4 (0.66) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL13225609 0.81 MAP4K4 (0.67) 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 3 patents. 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
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed