SCHEMBL29808979

SCHEMBL29808979

NC(=O)c1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.50
▸ TLR8 Q9NR97 6/20 0.49

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
SCHEMBL24732581 1.00 TLR7 (0.50) TLR7TLR8
SCHEMBL28802733 0.93 TLR7 (0.51) TLR7TLR8
SCHEMBL29809061 0.87 TLR7 (0.50) TLR7TLR8
SCHEMBL24732580 0.87 TLR7 (0.50) TLR7TLR8
SCHEMBL29809182 0.86 TLR7 (0.54) TLR7TLR8
SCHEMBL24732764 0.86 TLR7 (0.54) TLR7TLR8
SCHEMBL24732841 0.84 TLR7 (0.55) TLR7TLR8
SCHEMBL24732748 0.83 TLR7 (0.51) TLR7TLR8
SCHEMBL29809441 0.83 TLR7 (0.51) TLR7TLR8
SCHEMBL28802653 0.81 CYP2D6 (0.45) —

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
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 — — CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 — — CN disclosed
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