SCHEMBL2585288

SCHEMBL2585288

Nc1c(-c2ccc3scnc3c2)cnc2ccc(SC3CCOC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.33
RIPK3 Q9Y572 3/20 0.33
RIPK1 Q13546 1/20 0.33
MCL1 Q07820 3/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TGFBR1 P36897 1/20 0.30
RIPK2 O43353 2/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
CDK19 Q9BWU1 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
SCHEMBL2595291 0.94 RIPK3 (0.34) CD38RIPK3RIPK1MCL1PIM1
SCHEMBL2595034 0.86 RIPK3 (0.34) RIPK3RIPK1MCL1PIM1PIM2
SCHEMBL2594418 0.78 PIK3CA (0.41)
SCHEMBL2594924 0.76 PIK3CA (0.39) RIPK3RIPK1PIM1PIM2
SCHEMBL14717887 0.74 RIPK2 (0.52) RIPK3RIPK1TGFBR1RIPK2
SCHEMBL2595324 0.72 RIPK2 (0.38) RIPK3RIPK1RIPK2CCNCCDK8
SCHEMBL2585625 0.71 RIPK3 (0.35) RIPK3RIPK1PIM1PIM2TGFBR1
SCHEMBL2595613 0.70 RIPK2 (0.35) RIPK3RIPK1MCL1RIPK2
SCHEMBL2588243 0.68 RIPK3 (0.39) RIPK3RIPK1PIM1PIM2TGFBR1
SCHEMBL14717993 0.68 RIPK2 (0.54) RIPK3RIPK1TGFBR1RIPK2

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