SCHEMBL2595324

SCHEMBL2595324

Nc1c(-c2ccc3scnc3c2)cnc2ccc(S(=O)(=O)C3CC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.38
KDR P35968 1/20 0.38
GCK P35557 1/20 0.38
RIPK1 Q13546 2/20 0.37
RIPK3 Q9Y572 2/20 0.37
PIK3CD O00329 1/20 0.36
CHRM5 P08912 4/20 0.35
FEN1 P39748 4/20 0.35
ALOX5AP P20292 3/20 0.35
PDE4B Q07343 2/20 0.34
SPPL2A Q8TCT8 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CDK19 Q9BWU1 1/20 0.34

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
SCHEMBL2594418 0.90 PIK3CA (0.41) FEN1
SCHEMBL2595613 0.84 RIPK2 (0.35) RIPK2KDRGCKRIPK1RIPK3
SCHEMBL2595020 0.82 PDE4B (0.50) RIPK2KDRGCKRIPK1RIPK3
SCHEMBL2595291 0.75 RIPK3 (0.34) RIPK2RIPK1RIPK3CCNCCDK8
SCHEMBL2595034 0.74 RIPK3 (0.34) RIPK2GCKRIPK1RIPK3CCNC
SCHEMBL2595318 0.74 ACP1 (0.41) RIPK2KDRPIK3CDFEN1ALOX5AP
SCHEMBL2588243 0.74 RIPK3 (0.39) RIPK2KDRRIPK1RIPK3FEN1
SCHEMBL2595583 0.73 RIPK2 (0.36) RIPK2KDRGCKRIPK1RIPK3
SCHEMBL2585288 0.72 CD38 (0.33) RIPK2RIPK1RIPK3CCNCCDK8
SCHEMBL12180645 0.71 RIPK2 (0.74) RIPK2KDRRIPK1RIPK3CHRM5

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