SCHEMBL17044100

SCHEMBL17044100

CS(=O)(=O)c1cccc2c(Nc3ccc(O)c(Cl)c3)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.44
PTK6 Q13882 2/20 0.41
RIPK2 O43353 2/20 0.40
CA9 Q16790 1/20 0.40
EGFR P00533 1/20 0.40
TGFBR1 P36897 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
ADAM17 P78536 1/20 0.40
KLF5 Q13887 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
FADS1 O60427 1/20 0.39
MELK Q14680 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
CYP1A2 P05177 4/20 0.38

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
SCHEMBL17044074 0.91 RIPK2 (0.50) GRM4PTK6RIPK2CA9EGFR
SCHEMBL17044067 0.87 KDM4E (0.44) GRM4RIPK2TGFBR1PTGS2PTGS1
SCHEMBL17044092 0.85 KDR (0.41) PTK6RIPK2TGFBR1MEN1KMT2A
SCHEMBL17044080 0.84 GRM4 (0.43) GRM4PTK6RIPK2CA9TGFBR1
SCHEMBL17044112 0.83 GAA (0.45) PTK6RIPK2EGFRPTGS1HTR1A
SCHEMBL17044108 0.83 MAPKAPK2 (0.49) CA9MEN1KMT2ANPC1HSP90AA1
SCHEMBL17044086 0.81 RIPK2 (0.43) GRM4RIPK2MEN1KMT2ANPC1
SCHEMBL17044063 0.81 KDR (0.46) GRM4RIPK2MEN1KMT2ANPC1
SCHEMBL17044098 0.81 RET (0.42) GRM4MEN1KMT2ANPC1HSP90AA1
SCHEMBL17044069 0.79 PTGS1 (0.45) PTK6EGFRFADS1PTGS2PTGS1

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