SCHEMBL2595054

SCHEMBL2595054

CC(C)S(=O)(=O)c1ccc2ncc(-c3ccc4ocnc4c3)c(N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.40
GSK3B P49841 3/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
CDK9 P50750 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GCK P35557 1/20 0.37
PIK3CD O00329 1/20 0.36
FEN1 P39748 4/20 0.35
RIPK1 Q13546 2/20 0.34
ATM Q13315 6/20 0.33
ATR Q13535 6/20 0.33
ALOX5AP P20292 2/20 0.33
RIPK2 O43353 2/20 0.33
RIPK3 Q9Y572 1/20 0.33
PRKDC P78527 2/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL2595057 0.84 DYRK1A (0.39) DYRK1AGSK3BCLK1CLK2CLK3
SCHEMBL12180671 0.71 RIPK2 (0.66) RIPK1RIPK2RIPK3
SCHEMBL17044042 0.67 DYRK1A (0.45) DYRK1APIK3CDATMATRPRKDC
SCHEMBL28048555 0.63 DYRK1A (0.72) DYRK1AGSK3BCLK1CLK2CLK3
SCHEMBL14698005 0.63 RIPK1 (0.43) RIPK1RIPK2RIPK3PRKDC
SCHEMBL14706908 0.63 RIPK1 (0.43) RIPK1RIPK2RIPK3
SCHEMBL3575522 0.63 ALDH1A1 (0.49) DYRK1AGCKPIK3CD
SCHEMBL5729056 0.63 DYRK1A (0.46) DYRK1APIK3CD
SCHEMBL2595324 0.62 RIPK2 (0.38) GCKPIK3CDFEN1RIPK1ALOX5AP
SCHEMBL2511718 0.62 PDE4B (0.48) ATMATRPRKDCLRRK2

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-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed