SCHEMBL17044112

SCHEMBL17044112

CS(=O)(=O)c1cccc2c(Nc3ccc(O)cc3)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
MAPKAPK2 P49137 2/20 0.43
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
MERTK Q12866 1/20 0.40
RIPK2 O43353 3/20 0.40
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
PKMYT1 Q99640 1/20 0.40
DNMT1 P26358 2/20 0.39
DNMT3A Q9Y6K1 2/20 0.39
SLC40A1 Q9NP59 1/20 0.39
HDAC3 O15379 1/20 0.39
ACHE P22303 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL17044092 0.84 KDR (0.41) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL17044055 0.84 PKMYT1 (0.48) GAAMAPTMAPKAPK2RIPK2RET
SCHEMBL17044067 0.83 KDM4E (0.44) RIPK2PTGS1PTGDR2
SCHEMBL17044074 0.83 RIPK2 (0.50) RIPK2KDRPTGS1AURKAEGFR
SCHEMBL17044080 0.83 GRM4 (0.43) RIPK2PTGS1PTK6PTGDR2
SCHEMBL17044100 0.83 GRM4 (0.44) RIPK2PTGS1EGFRPTK6HTR1A
SCHEMBL17044114 0.83 RET (0.60) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL17044064 0.83 RIPK2 (0.49) GAAALDH1A1MAPTRIPK2RET
SCHEMBL17044085 0.82 KDR (0.46) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL17044063 0.82 KDR (0.46) ALDH1A1RIPK2RETKDRMAPK14

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