SCHEMBL29971101

SCHEMBL29971101

COC(=O)Nc1nc(NCc2noc(C)n2)c2c(cnn2Cc2ncc(CCl)cc2OC)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 17/20 0.39
▸ KCNH2 Q12809 6/20 0.39
▸ APP P05067 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32

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
SCHEMBL30111895 1.00 TLR7 (0.39) TLR7KCNH2APPACHEPDE1A
SCHEMBL23703886 0.95 TLR7 (0.39) TLR7KCNH2APPACHEPDE1A
SCHEMBL29970727 0.95 TLR7 (0.40) TLR7KCNH2APPACHE
SCHEMBL30111898 0.95 TLR7 (0.40) TLR7KCNH2APPACHE
SCHEMBL23704543 0.89 TLR7 (0.40) TLR7KCNH2APPACHE
SCHEMBL29971178 0.89 TLR7 (0.42) TLR7KCNH2
SCHEMBL23718892 0.88 TLR7 (0.55) TLR7KCNH2
SCHEMBL23718889 0.84 TLR7 (0.42) TLR7KCNH2
SCHEMBL29971148 0.84 TLR7 (0.42) TLR7KCNH2
SCHEMBL23704586 0.83 TLR7 (0.43) TLR7KCNH2APPACHE

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
CN-115135654-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7(TLR7) agonists 百时美施贵宝公司 2022-09-30 — — CN disclosed
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