SCHEMBL4707941

SCHEMBL4707941

CCS(=O)(=O)c1ncc2c(-c3ccc(N)c(F)c3)nn(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 9/20 0.46
▸ TLR9 Q9NR96 9/20 0.46
▸ TLR8 Q9NR97 9/20 0.46
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 3/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ KIT P10721 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ HCK P08631 2/20 0.35
▸ SRC P12931 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ EPHB4 P54760 2/20 0.35
▸ PRKDC P78527 2/20 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
SCHEMBL4262106 0.89 TLR7 (0.45) TLR7TLR9TLR8ALOX5APFEN1
SCHEMBL4047659 0.81 TLR7 (0.60) TLR7TLR9TLR8KDM5BKIT
SCHEMBL4228716 0.74 TLR7 (0.48) TLR7TLR9TLR8MAPK1
SCHEMBL4262479 0.73 TLR7 (0.61) TLR7TLR9TLR8PIK3CDABL1
SCHEMBL4263914 0.72 MERTK (0.38) TLR7TLR9TLR8PIK3CDABL1
SCHEMBL4048637 0.72 TLR7 (0.52) TLR7TLR9TLR8ALOX5APFEN1
SCHEMBL4228277 0.71 TLR7 (0.70) TLR7TLR9TLR8PIK3CDABL1
SCHEMBL4216196 0.70 TLR7 (0.59) TLR7TLR9TLR8PIK3CDABL1
SCHEMBL4261490 0.70 MERTK (0.52) TLR7TLR9TLR8
SCHEMBL4215022 0.70 TLR7 (0.74) TLR7TLR9TLR8PIK3CDABL1

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-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 — — EP disclosed
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