SCHEMBL10123571

SCHEMBL10123571

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 18/20 0.63
KCNH2 Q12809 9/20 0.63
MAPK14 Q16539 3/20 0.54
GAK O14976 2/20 0.54
LCK P06239 1/20 0.54
TGFBR1 P36897 1/20 0.54
RIPK3 Q9Y572 1/20 0.54
KDR P35968 3/20 0.40
RET P07949 1/20 0.40
PKMYT1 Q99640 1/20 0.40
RAF1 P04049 1/20 0.36
BRAF P15056 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
SCHEMBL600813 0.90 RIPK2 (0.78) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL600965 0.85 RIPK2 (0.65) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL12180660 0.80 RIPK2 (0.56) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL600382 0.80 RIPK2 (0.53) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL601819 0.78 RIPK2 (1.00) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL12496334 0.77 RIPK2 (0.79) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL602467 0.77 RIPK2 (0.82) RIPK2KCNH2MAPK14GAKLCK
Water SCHEMBL601248 0.77 RIPK2 (0.98) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL12503537 0.77 RIPK2 (0.78) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL10123709 0.76 RIPK2 (0.54) RIPK2KCNH2MAPK14GAKLCK

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