SCHEMBL25255753

SCHEMBL25255753

CCCCc1nc2c(N)nc3cc(C)sc3c2n1CC1CCN(C(=O)C2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.46
TLR8 Q9NR97 8/20 0.46
CNR2 P34972 1/20 0.34

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
SCHEMBL31270543 1.00 TLR7 (0.46) TLR7TLR8CNR2
SCHEMBL31270951 0.90 TLR7 (0.46) TLR7TLR8
SCHEMBL25299911 0.86 TLR7 (0.51) TLR7TLR8
SCHEMBL31270520 0.84 TLR7 (0.46) TLR7TLR8
SCHEMBL25253280 0.84 TLR7 (0.46) TLR7TLR8
SCHEMBL29030580 0.84 TLR7 (0.49) TLR7TLR8
SCHEMBL25256938 0.83 TLR7 (0.47) TLR7TLR8
SCHEMBL29030576 0.81 TLR7 (0.56) TLR7TLR8
SCHEMBL25256092 0.77 TLR7 (0.53) TLR7TLR8
SCHEMBL30586093 0.77 TLR7 (0.53) 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
CN-118201933-A Tri-fused ring compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-06-14 CN disclosed
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