SCHEMBL17059477

SCHEMBL17059477

[O-][S+](c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1)c1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.61
KCNH2 Q12809 4/20 0.56
GAK O14976 2/20 0.56
TGFBR1 P36897 2/20 0.56
LCK P06239 1/20 0.56
MAPK14 Q16539 1/20 0.56
RIPK3 Q9Y572 1/20 0.56
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
FADS1 O60427 1/20 0.37
RAF1 P04049 5/20 0.34
BRAF P15056 5/20 0.34
ULK1 O75385 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL17059481 0.84 RIPK2 (0.58) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL14730928 0.79 RIPK2 (0.70) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL17059503 0.77 RIPK2 (0.57) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL14717834 0.76 RIPK2 (0.69) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL2595620 0.76 RIPK2 (1.00) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL14730868 0.73 RIPK2 (0.72) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL2592512 0.72 RIPK2 (0.84) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL2595766 0.72 RIPK2 (1.00) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL2595069 0.72 RIPK2 (1.00) RIPK2KCNH2GAKTGFBR1LCK
SCHEMBL31248455 0.72 RIPK2 (1.00) RIPK2KCNH2GAKTGFBR1LCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed