SCHEMBL25253280

SCHEMBL25253280

CCCCc1nc2c(N)nc3cc(C)sc3c2n1CCCCNC(=O)C1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.46
TLR8 Q9NR97 7/20 0.46
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL31270520 1.00 TLR7 (0.46) TLR7TLR8ALDH1A1LMNA
SCHEMBL25255842 0.86 TLR7 (0.51) TLR7TLR8
SCHEMBL25439213 0.85 TLR7 (0.49) TLR7TLR8
SCHEMBL25255753 0.84 TLR7 (0.46) TLR7TLR8
SCHEMBL31270543 0.84 TLR7 (0.46) TLR7TLR8
SCHEMBL25254083 0.83 TLR7 (0.47) TLR7TLR8
SCHEMBL25816890 0.82 TLR7 (0.48) TLR7TLR8
SCHEMBL25299191 0.78 TLR7 (0.61) TLR7TLR8
SCHEMBL31270951 0.76 TLR7 (0.46) TLR7TLR8LMNA
SCHEMBL31025955 0.76 TLR7 (0.41) 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