SCHEMBL3585590

SCHEMBL3585590

NNC(=O)c1cccc2[nH]c(-c3ccc(-n4ccnc4)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.54
PKN2 Q16513 3/20 0.54
PARP1 P09874 13/20 0.52
PARP2 Q9UGN5 2/20 0.52
AURKB Q96GD4 2/20 0.51
PLK4 O00444 1/20 0.51
MAPK13 O15264 1/20 0.51
DYRK3 O43781 1/20 0.51
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51
PIM1 P11309 1/20 0.51
PHKG2 P15735 1/20 0.51
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CSNK1D P48730 1/20 0.51
CLK2 P49760 1/20 0.51
GSK3A P49840 1/20 0.51

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
SCHEMBL3575386 0.88 PARP1 (0.67) PKN1PKN2PARP1PARP2AURKB
SCHEMBL3585597 0.83 DHODH (0.45) ROCK1DHODH
SCHEMBL6582804 0.83 HPSE (0.47) PKN1PKN2PARP1PARP2AURKB
SCHEMBL3577852 0.83 AURKB (0.61) PKN1PKN2PARP1PARP2AURKB
SCHEMBL6805685 0.82 PKN1 (0.77) PKN1PKN2PARP1PARP2AURKB
SCHEMBL6578697 0.79 HPSE (0.47) PKN1PKN2PARP1PARP2AURKB
SCHEMBL3581187 0.77 AURKB (0.64) PKN1PKN2PARP1PARP2AURKB
SCHEMBL6583754 0.76 KDM4E (0.47) PKN1PKN2PARP1PARP2AURKB
SCHEMBL3575391 0.73 DHODH (0.47) PKN1PKN2PARP1PARP2AURKB
SCHEMBL5469314 0.71 DHODH (0.60) PKN1PKN2PARP1PARP2AURKB

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