SCHEMBL8773902

SCHEMBL8773902

CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(C(=O)OC)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.75
TLR8 Q9NR97 8/20 0.75

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
SCHEMBL16568336 0.95 TLR7 (0.76) TLR7TLR8
SCHEMBL16568337 0.95 TLR7 (0.76) TLR7TLR8
SCHEMBL8773395 0.94 TLR7 (0.75) TLR7TLR8
SCHEMBL16568536 0.94 TLR7 (0.75) TLR7TLR8
SCHEMBL860823 0.88 TLR7 (0.76) TLR7TLR8
SCHEMBL15302646 0.87 TLR7 (0.77) TLR7TLR8
SCHEMBL8820320 0.87 TLR7 (0.77) TLR7TLR8
SCHEMBL8775508 0.87 TLR7 (0.86) TLR7TLR8
SCHEMBL6120840 0.87 TLR7 (0.74) TLR7TLR8
SCHEMBL3708640 0.86 TLR7 (0.75) 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-2012066336-A1 BENZYLAMINE COMPOUNDS AS TOLL -LIKE RECEPTOR 7 AGONISTS ASTRAZENECA AB (SE) 2012-05-24 WO disclosed