SCHEMBL29136664

SCHEMBL29136664

CCCCc1nc2cnc3ccccc3c2n1Cc1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.75
▸ TLR8 Q9NR97 2/20 0.45
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44

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
SCHEMBL29947634 1.00 TLR7 (0.75) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL29136647 0.91 TLR7 (0.64) TLR7TLR8
SCHEMBL26981108 0.89 TLR7 (0.60) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL29947815 0.85 TLR7 (1.00) TLR7TLR8
SCHEMBL29136641 0.85 TLR7 (1.00) TLR7TLR8
SCHEMBL29136618 0.85 TLR7 (0.60) TLR7TLR8
SCHEMBL30824675 0.85 TLR7 (0.60) TLR7TLR8
SCHEMBL26981101 0.84 TLR7 (0.66) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL29947672 0.84 TLR7 (0.66) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL4754020 0.81 TLR7 (0.49) 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
CN-117355341-A TLR7 and TLR8 agonists for the treatment of cancer and/or infectious diseases 纽约州立大学研究基金会 2024-01-05 — — CN disclosed
Send feedback