SCHEMBL6587394

SCHEMBL6587394

NC(=O)Oc1cccc2[nH]c(-c3ccnnc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 5/20 0.49
PKN2 Q16513 5/20 0.49
CHEK2 O96017 2/20 0.49
PLK4 O00444 1/20 0.49
MAPK13 O15264 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
PHKG2 P15735 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CSNK1D P48730 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
PRKX P51817 1/20 0.49
PRKCZ Q05513 1/20 0.49
STK3 Q13188 1/20 0.49

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
SCHEMBL6590709 0.86 PKN1 (0.66) PKN1PKN2CHEK2PLK4MAPK13
SCHEMBL6586688 0.85 PKN1 (0.68) PKN1PKN2CHEK2PLK4MAPK13
SCHEMBL6589950 0.81 PKN1 (0.46) PKN1PKN2CHEK2PLK4MAPK13
SCHEMBL6809904 0.81 PKN1 (0.74) PKN1PKN2CHEK2PLK4MAPK13
SCHEMBL6578530 0.79 PARP1 (0.67) PARP1HPSEDHODH
SCHEMBL6586775 0.79 PARP1 (0.46) PKN1PKN2CHEK2PLK4MAPK13
SCHEMBL6384512 0.79 PARP1 (0.56) CHEK2PARP1PARP2HPSEDHODH
SCHEMBL7827732 0.79 PARP1 (0.69) PKN1PKN2CHEK2PLK4MAPK13
SCHEMBL6587303 0.78 EPHX2 (0.52) PKN1PKN2CHEK2PLK4MAPK13
SCHEMBL6590890 0.77 METAP2 (0.50) PKN1PKN2CHEK2PLK4MAPK13

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
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
EP-1177178-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed