SCHEMBL21550176

SCHEMBL21550176

COc1ccc(Cn2c(CCOCc3ccccc3)nc3c(N)nc4cc(Br)sc4c32)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.54
TLR8 Q9NR97 7/20 0.47

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
SCHEMBL30598831 1.00 TLR7 (0.54) TLR7TLR8
SCHEMBL21550207 0.95 TLR7 (0.56) TLR7TLR8
SCHEMBL21566214 0.85 TLR7 (0.56) TLR7TLR8
SCHEMBL21566254 0.85 TLR7 (0.51) TLR7TLR8
SCHEMBL30598830 0.85 TLR7 (0.51) TLR7TLR8
SCHEMBL30598840 0.85 TLR7 (0.39) TLR7
SCHEMBL21566256 0.85 TLR7 (0.39) TLR7
SCHEMBL21557865 0.84 TLR7 (0.56) TLR7TLR8
SCHEMBL21557861 0.84 TLR7 (0.55) TLR7TLR8
SCHEMBL21566402 0.81 TLR7 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263952-A Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-12-22 CN disclosed
CN-111836814-B Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-20 CN disclosed
CN-111836814-A Fused ring compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-10-27 CN disclosed
WO-2019214546-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 (CN) 2019-11-14 WO disclosed
WO-2019214546-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 (CN) 2019-11-14 WO disclosed