SCHEMBL3359424

SCHEMBL3359424

CCCCOc1nc(N)c2nc(OC)n(CCO)c2n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.50
TLR8 Q9NR97 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44

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
SCHEMBL1146459 0.94 TLR7 (0.49) TLR7ADORA2AADORA2B
SCHEMBL4223870 0.92 TLR7 (0.47) TLR7
SCHEMBL20275365 0.91 TLR7 (0.53) TLR7
SCHEMBL14151403 0.90 TLR7 (0.55) TLR7TLR8
SCHEMBL2389535 0.89 TLR7 (0.51) TLR7TLR8
SCHEMBL2391153 0.89 TLR7 (0.45) TLR7
SCHEMBL1845303 0.88 TLR7 (0.50) TLR7
SCHEMBL728835 0.88 TLR7 (0.50) TLR7
SCHEMBL566897 0.88 TLR7 (0.53) TLR7
SCHEMBL4126699 0.87 TLR7 (0.49) TLR7

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