SCHEMBL7291065

SCHEMBL7291065

N#Cc1cc(-c2ccncc2)cnc1NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.46
CLK2 P49760 2/20 0.46
GSK3B P49841 2/20 0.46
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
PRKCQ Q04759 2/20 0.46
ROCK2 O75116 2/20 0.46
PRKCD Q05655 2/20 0.46
JAK2 O60674 1/20 0.46
MAP4K4 O95819 1/20 0.46
RPS6KB1 P23443 1/20 0.46
TYK2 P29597 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
EGFR P00533 2/20 0.43
LATS1 O95835 1/20 0.43
LATS2 Q9NRM7 1/20 0.43

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
SCHEMBL7293503 0.92 PRKCD (0.48) ROCK1CLK2GSK3BDYRK1ACLK4
SCHEMBL7292623 0.91 PRKCD (0.44) ROCK1CLK2GSK3BDYRK1ACLK4
SCHEMBL7282998 0.88 LATS1 (0.49) ROCK1CLK2GSK3BDYRK1ACLK4
SCHEMBL7284439 0.86 PRKCH (0.46) ROCK1CLK2GSK3BDYRK1ACLK4
SCHEMBL11238008 0.85 GSK3A (0.45) ROCK1CLK2GSK3BDYRK1ACLK4
Fumaric Acid SCHEMBL7482923 0.84 PRKCA (0.42) ROCK1CLK2GSK3BDYRK1ACLK4
SCHEMBL7292117 0.83 ROCK1 (0.43) ROCK1CLK2GSK3BDYRK1ACLK4
SCHEMBL9695373 0.83 CCNA2 (0.41) ROCK1CLK2GSK3BDYRK1ACLK4
Cadaverine Tartrate SCHEMBL7483516 0.83 PRKCA (0.41) ROCK1CLK2GSK3BDYRK1ACLK4
SCHEMBL4590994 0.83 HSD17B10 (0.48) CLK4ALDH1A1KDM4EUSP2TSHR

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
EP-0200024-B1 3-CYANO-PYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-07-01 EP disclosed
EP-0200024-A2 3-Cyano-pyridines, process for their preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1986-11-05 EP disclosed