SCHEMBL29947756

SCHEMBL29947756

CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 1.00
▸ TLR8 Q9NR97 3/20 0.68

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
SCHEMBL29947698 0.99 TLR7 (1.00) TLR7TLR8
SCHEMBL29947769 0.98 TLR7 (1.00) TLR7TLR8
SCHEMBL29947608 0.92 TLR7 (1.00) TLR7TLR8
SCHEMBL29136637 0.90 TLR7 (0.87) TLR7
SCHEMBL26981137 0.89 TLR7 (0.95) TLR7TLR8
SCHEMBL26981083 0.88 TLR7 (1.00) TLR7TLR8
SCHEMBL15698491 0.87 TLR7 (0.82) TLR7TLR8
SCHEMBL29947776 0.87 TLR7 (0.82) TLR7TLR8
SCHEMBL29947632 0.86 TLR7 (1.00) TLR7TLR8
SCHEMBL27238484 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301417-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES The Research Foundation for The State University of New York (US) 2024-01-10 — — EP disclosed
WO-2022187809-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-09 — — WO disclosed
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