SCHEMBL17044115

SCHEMBL17044115

CS(=O)(=O)c1cccc2c(Nc3ccc(O)cc3F)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
RIPK2 O43353 2/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
MAPK14 Q16539 1/20 0.43
PKMYT1 Q99640 1/20 0.43
GLO1 Q04760 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
COMT P21964 4/20 0.38
SLC40A1 Q9NP59 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
GRM4 Q14833 1/20 0.35

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
SCHEMBL17044085 0.91 KDR (0.46) KDM4ERIPK2RETKDRMAPK14
SCHEMBL17044064 0.87 RIPK2 (0.49) KDM4ERIPK2RETKDRMAPK14
SCHEMBL17044086 0.86 RIPK2 (0.43) KDM4ERIPK2RETKDRMAPK14
SCHEMBL17044114 0.85 RET (0.60) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL17044063 0.84 KDR (0.46) KDM4ERIPK2RETKDRMAPK14
SCHEMBL17044107 0.84 MMP2 (0.43) KDM4ERIPK2PTGDR2COMTMMP2
SCHEMBL17044112 0.82 GAA (0.45) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL17044075 0.82 MMP2 (0.43) KDM4ERIPK2MAPK14PTGDR2COMT
SCHEMBL17044098 0.81 RET (0.42) KDM4ERETPTGDR2NR1H2NR1H3
SCHEMBL17044067 0.81 KDM4E (0.44) KDM4ERIPK2PTGDR2NR1H2NR1H3

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 claimed