SCHEMBL2595583

SCHEMBL2595583

Cc1noc(C)c1CCS(=O)(=O)c1ccc2ncc(-c3ccc4scnc4c3)c(N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.36
KDR P35968 2/20 0.36
RIPK3 Q9Y572 3/20 0.35
RIPK1 Q13546 3/20 0.35
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GCK P35557 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LCK P06239 1/20 0.31
TGFBR1 P36897 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
PDE4B Q07343 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL14718106 0.78 RIPK2 (0.64) RIPK2KDRRIPK3RIPK1TGFBR1
SCHEMBL2595020 0.76 PDE4B (0.50) RIPK2KDRRIPK3RIPK1GCK
SCHEMBL2595324 0.73 RIPK2 (0.38) RIPK2KDRRIPK3RIPK1GCK
SCHEMBL2595613 0.71 RIPK2 (0.35) RIPK2KDRRIPK3RIPK1GCK
SCHEMBL2594418 0.70 PIK3CA (0.41) FEN1
SCHEMBL2588243 0.68 RIPK3 (0.39) RIPK2KDRRIPK3RIPK1ALOX5AP
SCHEMBL2588246 0.67 RIPK3 (0.36) RIPK2KDRRIPK3RIPK1LCK
SCHEMBL2595057 0.67 DYRK1A (0.39) RIPK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2585625 0.63 RIPK3 (0.35) RIPK2KDRRIPK3RIPK1LCK
SCHEMBL2595291 0.62 RIPK3 (0.34) RIPK2RIPK3RIPK1TGFBR1

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