SCHEMBL3584741

SCHEMBL3584741

NCc1cccn1-c1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.59
DHODH Q02127 1/20 0.56
PKN2 Q16513 3/20 0.53
DYRK3 O43781 2/20 0.53
MAP4K4 O95819 2/20 0.53
PIM1 P11309 2/20 0.53
RPS6KB1 P23443 2/20 0.53
PIM3 Q86V86 2/20 0.53
BRSK1 Q8TDC3 2/20 0.53
AURKB Q96GD4 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
STK17A Q9UEE5 2/20 0.53
CSNK2A1 P68400 1/20 0.53
HIPK2 Q9H2X6 1/20 0.53
MAP4K5 Q9Y4K4 1/20 0.53
PKN1 Q16512 2/20 0.53
PLK4 O00444 1/20 0.53
MAPK13 O15264 1/20 0.53
ROCK2 O75116 1/20 0.53

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
SCHEMBL6579004 0.85 PARP1 (0.41) PARP1DHODHPKN2DYRK3MAP4K4
SCHEMBL3577208 0.84 PARP1 (0.55) PARP1DHODHPKN2DYRK3MAP4K4
SCHEMBL3584745 0.84 PARP1 (0.39) PARP1DHODHPKN2DYRK3MAP4K4
SCHEMBL7763628 0.83 MGAM (0.53)
SCHEMBL3580135 0.81 AURKB (0.61) PARP1DHODHPKN2DYRK3MAP4K4
SCHEMBL7135042 0.79 PARP1 (0.82) PARP1DHODHPKN2DYRK3MAP4K4
SCHEMBL3582857 0.76 PARP1 (0.66) PARP1DHODHPKN2DYRK3MAP4K4
SCHEMBL7139354 0.75 PARP1 (0.83) PARP1DHODHPKN2DYRK3MAP4K4
SCHEMBL3585138 0.75 PARP1 (1.00) PARP1DHODHPKN2DYRK3MAP4K4
SCHEMBL7765872 0.75 MGAM (0.51)

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 2 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