SCHEMBL10123709

SCHEMBL10123709

Cc1c(Nc2ccnc3ccc(S(=O)(=O)C4CCOCC4)cc23)n[nH]c1C(C)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 17/20 0.54
KCNH2 Q12809 9/20 0.54
MAPK14 Q16539 2/20 0.47
GAK O14976 1/20 0.47
LCK P06239 1/20 0.47
TGFBR1 P36897 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
LRRK2 Q5S007 1/20 0.39
RET P07949 2/20 0.37
KDR P35968 1/20 0.36
PKMYT1 Q99640 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
SCHEMBL600382 0.94 RIPK2 (0.53) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL600928 0.88 RIPK2 (0.65) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL600481 0.82 RIPK2 (0.63) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL12497181 0.82 RIPK2 (0.46) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL12496648 0.80 RIPK2 (0.57) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL2595333 0.79 RIPK2 (0.69) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL17059502 0.78 RIPK2 (0.54) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL600813 0.77 RIPK2 (0.78) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL12682685 0.76 RIPK2 (0.56) RIPK2KCNH2MAPK14GAKLCK
SCHEMBL10123571 0.76 RIPK2 (0.63) 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