SCHEMBL2595034

SCHEMBL2595034

Nc1c(-c2ccc3scnc3c2)cnc2ccc(SC3CCSCC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 4/20 0.34
RIPK1 Q13546 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
RIPK2 O43353 4/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
CDK19 Q9BWU1 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAP3K11 Q16584 1/20 0.31
GCK P35557 1/20 0.31
KDM1A O60341 1/20 0.30
MCL1 Q07820 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 0.89 RIPK3 (0.34) RIPK3RIPK1PIM1PIM2RIPK2
SCHEMBL2585288 0.86 CD38 (0.33) RIPK3RIPK1PIM1PIM2RIPK2
SCHEMBL2595324 0.74 RIPK2 (0.38) RIPK3RIPK1RIPK2CCNCCDK8
SCHEMBL2585625 0.73 RIPK3 (0.35) RIPK3RIPK1PIM1PIM2RIPK2
SCHEMBL12180829 0.72 RIPK2 (0.55) RIPK3RIPK1RIPK2
SCHEMBL2594924 0.72 PIK3CA (0.39) RIPK3RIPK1PIM1PIM2MAP3K11
SCHEMBL2588243 0.70 RIPK3 (0.39) RIPK3RIPK1PIM1PIM2RIPK2
SCHEMBL2594418 0.69 PIK3CA (0.41)
SCHEMBL2595020 0.69 PDE4B (0.50) RIPK3RIPK1RIPK2GCK
SCHEMBL2595613 0.68 RIPK2 (0.35) RIPK3RIPK1RIPK2GCKMCL1

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