SCHEMBL3358978

SCHEMBL3358978

CCCCOc1nc(N)c2[nH]c(=O)n(CCCOCC3CCOC3)c2n1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.82
TLR8 Q9NR97 3/20 0.63

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
SCHEMBL3435277 1.00 TLR7 (0.82) TLR7TLR8
SCHEMBL3354169 0.96 TLR7 (0.79) TLR7TLR8
SCHEMBL3355678 0.95 TLR7 (0.83) TLR7TLR8
SCHEMBL3358468 0.91 TLR7 (0.80) TLR7
SCHEMBL2198961 0.91 TLR7 (0.95) TLR7TLR8
SCHEMBL2196389 0.90 TLR7 (1.00) TLR7TLR8
SCHEMBL2197013 0.90 TLR7 (0.90) TLR7TLR8
SCHEMBL2197943 0.90 TLR7 (0.90) TLR7TLR8
SCHEMBL2197896 0.90 TLR7 (0.90) TLR7TLR8
SCHEMBL2197588 0.88 TLR7 (0.89) TLR7TLR8

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-2010018132-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed