SCHEMBL8546320

SCHEMBL8546320

CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCCC2)cc1O

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.80
TLR7 Q9NYK1 16/20 0.70

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
SCHEMBL6123262 0.89 TLR8 (1.00) TLR8TLR7
SCHEMBL8521621 0.87 TLR8 (0.81) TLR8TLR7
SCHEMBL4198100 0.84 TLR7 (0.83) TLR8TLR7
SCHEMBL4204511 0.84 TLR7 (0.83) TLR8TLR7
SCHEMBL8546752 0.84 TLR7 (0.79) TLR8TLR7
SCHEMBL8773268 0.83 TLR8 (1.00) TLR8TLR7
SCHEMBL8776129 0.83 TLR8 (1.00) TLR8TLR7
SCHEMBL12343355 0.82 TLR7 (1.00) TLR8TLR7
SCHEMBL6120547 0.82 TLR7 (0.71) TLR8TLR7
SCHEMBL8780199 0.82 TLR7 (1.00) TLR8TLR7

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-2012066335-A1 PHENOL COMPOUNDS ALS TOLL -LIKE RECEPTOR 7 AGONISTS ASTRAZENECA AB (SE) 2012-05-24 WO disclosed