SCHEMBL6809910

SCHEMBL6809910

NC(=O)c1cccc2nc(-c3ccnnc3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 4/20 0.46
PKN2 Q16513 4/20 0.46
PLK4 O00444 2/20 0.46
MAP4K4 O95819 2/20 0.46
PRKX P51817 2/20 0.46
ROCK1 Q13464 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
MAPK13 O15264 1/20 0.46
DYRK3 O43781 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46
CHEK2 O96017 1/20 0.46
PIM1 P11309 1/20 0.46
PHKG2 P15735 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 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
SCHEMBL6809996 0.85 PKN1 (0.63) PKN1PKN2PLK4MAP4K4PRKX
SCHEMBL6806964 0.84 PKN1 (0.65) PKN1PKN2PLK4MAP4K4PRKX
SCHEMBL3579908 0.82 PARP1 (0.61) PKN1PKN2PLK4MAP4K4PRKX
SCHEMBL2149454 0.80 PARP1 (0.63) PKN1PKN2PLK4MAP4K4PRKX
SCHEMBL6805691 0.79 PLK4 (0.47) PKN1PKN2PLK4MAP4K4PRKX
SCHEMBL6809904 0.79 PKN1 (0.74) PKN1PKN2PLK4MAP4K4PRKX
SCHEMBL3585144 0.77 PARP1 (0.64) PLK4MAP4K4PIM1AURKBMKNK2
SCHEMBL6805361 0.77 PDPK1 (0.43) PKN1PKN2PLK4MAP4K4PRKX
SCHEMBL29696369 0.76 NPC1 (0.53) CSNK1DPARP1DHODH
SCHEMBL6803965 0.76 EPHX2 (0.55) PKN1PKN2PLK4MAP4K4PRKX

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-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed