SCHEMBL27788231

SCHEMBL27788231

CC(C)(C)C(=O)On1nc(N)c2cc(-c3cn(Cc4ccccc4)nn3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.58
GSK3B P49841 8/20 0.58
CLK2 P49760 7/20 0.58
MAPK1 P28482 6/20 0.58
CLK4 Q9HAZ1 6/20 0.58
CSNK1G2 P78368 5/20 0.58
SGK2 Q9HBY8 5/20 0.58
GSK3A P49840 4/20 0.58
DYRK3 O43781 4/20 0.58
PRKG1 Q13976 3/20 0.58
CSNK1G1 Q9HCP0 3/20 0.58
CSNK1G3 Q9Y6M4 3/20 0.58
CDC7 O00311 15/20 0.52
CDK2 P24941 9/20 0.52
PRKACA P17612 7/20 0.52
DAPK3 O43293 7/20 0.52
CDK5 Q00535 7/20 0.52
DYRK1A Q13627 7/20 0.52
MAPK13 O15264 5/20 0.52
CDK1 P06493 5/20 0.52

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
SCHEMBL3667784 0.82 ROCK2 (0.65) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL3672059 0.81 ROCK2 (0.71) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL27788237 0.80 CDC7 (0.53) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL27810081 0.80 CDC7 (0.53) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL27788234 0.78 CDC7 (0.56) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL27810092 0.78 CDC7 (0.44) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL3666082 0.77 ROCK2 (0.66) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL3667253 0.74 ROCK2 (1.00) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL3668369 0.72 ROCK2 (0.75) ROCK2GSK3BCLK2MAPK1CLK4
SCHEMBL28124611 0.72 ALDH1A1 (0.38) MAPK1CDK5MEN1KMT2A

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
CN-101790526-A 5-heteroaryl substituted indazoles as kinase inhibitors ABBOTT GMBH & CO KG 2010-07-28 CN disclosed