SCHEMBL12503547

SCHEMBL12503547

NCCCNC(=O)c1ccc(NC(=O)Nc2ccc3[nH]ncc3c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.55
ROCK1 Q13464 14/20 0.55
RPS6KB1 P23443 4/20 0.51
CLK4 Q9HAZ1 3/20 0.50
SGK2 Q9HBY8 3/20 0.50
PRKACA P17612 2/20 0.50
PRKX P51817 2/20 0.50
PRKG2 Q13237 2/20 0.50
PRKD3 O94806 2/20 0.50
CLK2 P49760 2/20 0.50
DYRK1A Q13627 2/20 0.50
PRKG1 Q13976 2/20 0.50
PRKD2 Q9BZL6 2/20 0.50
STK17A Q9UEE5 2/20 0.50
AURKA O14965 1/20 0.50
DYRK3 O43781 1/20 0.50
PRKCG P05129 1/20 0.50
MARK3 P27448 1/20 0.50
MAPK1 P28482 1/20 0.50
AKT1 P31749 1/20 0.50

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
SCHEMBL627181 0.83 ROCK2 (0.54) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL6312939 0.72 ROCK1 (0.77) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL26715302 0.72 ROCK2 (0.65) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL12059777 0.72 ROCK2 (0.70) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL15146104 0.71 ROCK2 (1.00) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL15147870 0.71 ROCK2 (1.00) ROCK2ROCK1RPS6KB1CLK4CLK2
SCHEMBL4577230 0.71 ROCK2 (0.67) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL24033483 0.71 ROCK2 (0.65) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL22125279 0.71 ROCK2 (0.66) ROCK2ROCK1RPS6KB1CLK4SGK2
SCHEMBL30665086 0.71 ROCK2 (0.65) ROCK2ROCK1RPS6KB1CLK4SGK2

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
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed