SCHEMBL21649142

SCHEMBL21649142

CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CNCCC)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.84
▸ TLR8 Q9NR97 18/20 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
SCHEMBL21632437 0.92 TLR7 (0.88) TLR7TLR8
SCHEMBL24757414 0.92 TLR7 (0.95) TLR7TLR8
SCHEMBL20766799 0.91 TLR7 (0.96) TLR7TLR8
SCHEMBL29381770 0.91 TLR7 (0.96) TLR7TLR8
SCHEMBL16021125 0.91 TLR7 (0.86) TLR7TLR8
SCHEMBL13968059 0.91 TLR7 (1.00) TLR7TLR8
SCHEMBL19299789 0.91 TLR7 (0.86) TLR7TLR8
SCHEMBL20983639 0.90 TLR7 (1.00) TLR7TLR8
SCHEMBL29382380 0.90 TLR7 (1.00) TLR7TLR8
SCHEMBL16019253 0.90 TLR7 (1.00) 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-2020023680-A1 TLR7/8 AGONISTS AND LIPOSOME COMPOSITIONS TORQUE THERAPEUTICS, INC. (US) 2020-01-30 — — WO disclosed
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