SCHEMBL2595613

SCHEMBL2595613

CC1OCCC1S(=O)(=O)c1ccc2ncc(-c3ccc4scnc4c3)c(N)c2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.35
KDR P35968 1/20 0.35
RIPK1 Q13546 2/20 0.34
RIPK3 Q9Y572 2/20 0.34
GCK P35557 1/20 0.34
CHRM5 P08912 10/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PIK3CD O00329 1/20 0.32
TXNRD1 Q16881 1/20 0.31
MCL1 Q07820 2/20 0.31

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
SCHEMBL2595324 0.84 RIPK2 (0.38) RIPK2KDRRIPK1RIPK3GCK
SCHEMBL2594418 0.82 PIK3CA (0.41) FEN1
SCHEMBL14717972 0.76 RIPK2 (0.66) RIPK2KDRRIPK1RIPK3CHRM5
SCHEMBL2595020 0.76 PDE4B (0.50) RIPK2KDRRIPK1RIPK3GCK
SCHEMBL2595291 0.71 RIPK3 (0.34) RIPK2RIPK1RIPK3MCL1
SCHEMBL2595583 0.71 RIPK2 (0.36) RIPK2KDRRIPK1RIPK3GCK
SCHEMBL2588243 0.70 RIPK3 (0.39) RIPK2KDRRIPK1RIPK3ALOX5AP
SCHEMBL2585288 0.70 CD38 (0.33) RIPK2RIPK1RIPK3MCL1
SCHEMBL12180812 0.68 TXNRD1 (0.38) RIPK2KDRTXNRD1
SCHEMBL2595034 0.68 RIPK3 (0.34) RIPK2RIPK1RIPK3GCKMCL1

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