SCHEMBL23513867

SCHEMBL23513867

CCCNc1nc(N)nc2cc(I)sc12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.50
▸ TLR8 Q9NR97 15/20 0.41
▸ TLR7 Q9NYK1 13/20 0.39

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
SCHEMBL29653626 1.00 APP (0.50) APPTLR8TLR7
SCHEMBL29653636 0.85 TLR7 (0.45) APPTLR8TLR7
SCHEMBL23514158 0.85 TLR7 (0.45) APPTLR8TLR7
SCHEMBL23500421 0.83 ILK (0.40) APPTLR8TLR7
SCHEMBL23500558 0.80 NPC1 (0.40) APPTLR7
SCHEMBL23500158 0.80 NPC1 (0.40) APPTLR7
SCHEMBL23500163 0.80 NPC1 (0.40) APPTLR7
SCHEMBL23513853 0.79 KCNH2 (0.37) TLR8TLR7
SCHEMBL30827111 0.79 KCNH2 (0.37) TLR8TLR7
SCHEMBL23513823 0.78 APP (0.46) APPTLR7

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-2021114691-A1 NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-06-17 — — WO disclosed
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