SCHEMBL8546752

SCHEMBL8546752

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

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.79
TLR8 Q9NR97 10/20 0.79

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
SCHEMBL8521583 0.94 TLR7 (0.75) TLR7TLR8
SCHEMBL8527768 0.89 TLR7 (0.70) TLR7TLR8
SCHEMBL8526344 0.88 TLR7 (1.00) TLR7TLR8
SCHEMBL4204511 0.87 TLR7 (0.83) TLR7TLR8
SCHEMBL4198100 0.87 TLR7 (0.83) TLR7TLR8
SCHEMBL8527178 0.86 TLR7 (0.73) TLR7TLR8
SCHEMBL8520888 0.86 TLR8 (0.80) TLR7TLR8
SCHEMBL8521025 0.85 TLR7 (0.74) TLR7TLR8
SCHEMBL12343355 0.85 TLR7 (1.00) TLR7TLR8
SCHEMBL8521088 0.84 TLR7 (0.65) 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-2012066335-A1 PHENOL COMPOUNDS ALS TOLL -LIKE RECEPTOR 7 AGONISTS ASTRAZENECA AB (SE) 2012-05-24 WO disclosed