SCHEMBL17059502

SCHEMBL17059502

O=S(=O)(c1ccc2nccc(Nc3n[nH]c4ccc(I)cc34)c2c1)C1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.54
KCNH2 Q12809 6/20 0.52
GAK O14976 2/20 0.52
MAPK14 Q16539 2/20 0.52
LCK P06239 1/20 0.52
TGFBR1 P36897 1/20 0.52
RIPK3 Q9Y572 1/20 0.52
LRRK2 Q5S007 2/20 0.49
ULK1 O75385 3/20 0.39
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
COQ8A Q8NI60 1/20 0.35
NLK Q9UBE8 1/20 0.35
RET P07949 2/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
KDR P35968 1/20 0.34
PKMYT1 Q99640 1/20 0.34

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
SCHEMBL2595333 0.90 RIPK2 (0.69) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL2589389 0.84 RIPK2 (0.67) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL600928 0.82 RIPK2 (0.65) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL600382 0.78 RIPK2 (0.53) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL10123709 0.78 RIPK2 (0.54) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL600481 0.77 RIPK2 (0.63) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL12497160 0.76 RIPK2 (0.55) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL12496266 0.75 RIPK2 (0.54) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL12497191 0.75 RIPK2 (0.56) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL14717834 0.75 RIPK2 (0.69) RIPK2KCNH2GAKMAPK14LCK

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