SCHEMBL10123969

SCHEMBL10123969

CCCC(C)(CCC)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c(C)c3C)c2c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 17/20 0.78
KCNH2 Q12809 9/20 0.78
GAK O14976 3/20 0.54
MAPK14 Q16539 2/20 0.54
LCK P06239 1/20 0.54
TGFBR1 P36897 1/20 0.54
RIPK3 Q9Y572 1/20 0.54
ROCK1 Q13464 1/20 0.45
KDR P35968 2/20 0.42
RET P07949 1/20 0.42
PKMYT1 Q99640 1/20 0.42

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
SCHEMBL601819 0.88 RIPK2 (1.00) RIPK2KCNH2GAKMAPK14LCK
Water SCHEMBL601248 0.87 RIPK2 (0.98) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL602467 0.85 RIPK2 (0.82) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL627303 0.80 RIPK2 (0.84) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL600919 0.80 RIPK2 (0.74) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL10123972 0.79 RIPK2 (0.64) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL599934 0.79 RIPK2 (0.70) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL599745 0.78 RIPK2 (0.76) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL600419 0.78 RIPK2 (0.76) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL12496256 0.77 RIPK2 (1.00) 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
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed