SCHEMBL2595020

SCHEMBL2595020

Nc1c(-c2ccc3scnc3c2)cnc2ccc(S(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.50
PIK3CD O00329 1/20 0.45
IKBKB O14920 1/20 0.43
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
RIPK2 O43353 4/20 0.39
KDR P35968 2/20 0.39
RIPK3 Q9Y572 2/20 0.38
RIPK1 Q13546 1/20 0.37
NAMPT P43490 1/20 0.37
GCK P35557 1/20 0.37
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
EGFR P00533 1/20 0.36
TGFBR1 P36897 1/20 0.36

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 0.82 RIPK2 (0.38) PDE4BPIK3CDALOX5APFEN1RIPK2
SCHEMBL8371819 0.78 IKBKB (0.48) PDE4BPIK3CDIKBKBALOX5APFEN1
SCHEMBL2594418 0.77 PIK3CA (0.41) FEN1
SCHEMBL2595613 0.76 RIPK2 (0.35) PIK3CDALOX5APFEN1RIPK2KDR
SCHEMBL2595583 0.76 RIPK2 (0.36) PDE4BPIK3CDALOX5APFEN1RIPK2
SCHEMBL2588243 0.74 RIPK3 (0.39) ALOX5APFEN1RIPK2KDRRIPK3
SCHEMBL2588246 0.71 RIPK3 (0.36) RIPK2KDRRIPK3RIPK1TGFBR1
SCHEMBL14718384 0.71 RIPK2 (0.76) PDE4BPIK3CDIKBKBRIPK2KDR
SCHEMBL2595034 0.69 RIPK3 (0.34) RIPK2RIPK3RIPK1GCK
SCHEMBL2585625 0.67 RIPK3 (0.35) RIPK2KDRRIPK3RIPK1TGFBR1

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