SCHEMBL8527613

SCHEMBL8527613

CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC)cc1OC

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.88
TLR8 Q9NR97 8/20 0.82

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
SCHEMBL15393115 0.94 TLR7 (1.00) TLR7TLR8
SCHEMBL15393191 0.94 TLR7 (1.00) TLR7TLR8
SCHEMBL15393038 0.93 TLR7 (1.00) TLR7TLR8
SCHEMBL15392987 0.93 TLR7 (1.00) TLR7TLR8
SCHEMBL8521010 0.92 TLR8 (0.89) TLR7TLR8
SCHEMBL29447445 0.92 TLR7 (0.86) TLR7TLR8
SCHEMBL16624331 0.92 TLR7 (0.86) TLR7TLR8
SCHEMBL20936319 0.92 TLR7 (0.86) TLR7TLR8
SCHEMBL29447486 0.91 TLR7 (0.88) TLR7TLR8
SCHEMBL19231131 0.91 TLR7 (0.88) 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 2 patents. 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
WO-2012066335-A1 PHENOL COMPOUNDS ALS TOLL -LIKE RECEPTOR 7 AGONISTS ASTRAZENECA AB (SE) 2012-05-24 WO disclosed