SCHEMBL6806431

SCHEMBL6806431

NC(=O)c1cccc2nc(-c3cnccc3O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.42
PKN2 Q16513 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
PLK4 O00444 2/20 0.42
MAP4K4 O95819 2/20 0.42
PRKX P51817 2/20 0.42
ROCK1 Q13464 2/20 0.42
CDK5 Q00535 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL6806139 0.83 IKBKB (0.52) PKN1PKN2CLK4CDK5DYRK1B
SCHEMBL6809996 0.80 PKN1 (0.63) PKN1PKN2CLK4PLK4MAP4K4
SCHEMBL6806427 0.80 PKN1 (0.67) PKN1PKN2CLK4PLK4MAP4K4
SCHEMBL6806964 0.80 PKN1 (0.65) PKN1PKN2CLK4PLK4MAP4K4
SCHEMBL6805010 0.79 METAP2 (0.53) PKN1PKN2CLK4PLK4MAP4K4
SCHEMBL6806538 0.78 PTGER1 (0.41) LRRK2CHEK2PARP1DHODHHTT
SCHEMBL6805989 0.78 PARP1 (0.38) CLK4AURKACSF1RFGFR1KDR
SCHEMBL6805384 0.77 CLK4 (0.44) PKN2CLK4MAP4K4CDK5DYRK1B
SCHEMBL27461815 0.76 KDM4E (0.54) CLK4PLK4MAP4K4PRKXROCK1
SCHEMBL6806567 0.76 CHEK2 (0.42) PKN2CLK4MAP4K4CDK5DYRK1B

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