SCHEMBL25818485

SCHEMBL25818485

CCOCc1nc2c(N)nc3ccsc3c2n1CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.56
TLR8 Q9NR97 9/20 0.56
NUDT1 P36639 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
SCHEMBL31270662 1.00 TLR7 (0.56) TLR7TLR8NUDT1
SCHEMBL25296984 0.89 TLR7 (0.67) TLR7TLR8
SCHEMBL25257813 0.86 TLR7 (0.54) TLR7TLR8
SCHEMBL24538755 0.86 TLR7 (0.69) TLR7TLR8
SCHEMBL30876985 0.86 TLR7 (0.69) TLR7TLR8
SCHEMBL25257990 0.84 TLR8 (0.43) TLR7TLR8
SCHEMBL31270698 0.84 TLR8 (0.43) TLR7TLR8
SCHEMBL5344428 0.83 TLR7 (0.72) TLR7TLR8NUDT1
SCHEMBL31709368 0.83 TLR7 (0.59) TLR7TLR8NUDT1
SCHEMBL31337596 0.83 TLR7 (0.59) TLR7TLR8NUDT1

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-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed