SCHEMBL30833946

SCHEMBL30833946

C#Cc1ccc(-c2nnc(N[C@@H]3CCCNC3)cc2C)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.55
IL1B P01584 10/20 0.48
TNF P01375 1/20 0.43
CHEK2 O96017 2/20 0.38

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
SCHEMBL25302079 0.87 NLRP3 (0.42) NLRP3IL1BCHEK2
SCHEMBL30488537 0.87 NLRP3 (0.42) NLRP3IL1BCHEK2
SCHEMBL30488601 0.87 NLRP3 (0.42) NLRP3IL1BCHEK2
SCHEMBL25262878 0.87 NLRP3 (0.42) NLRP3IL1BCHEK2
SCHEMBL31681900 0.86 NLRP3 (0.54) NLRP3IL1BTNF
SCHEMBL30833869 0.85 IL1B (0.51) NLRP3IL1BTNF
SCHEMBL30834025 0.85 IL1B (0.51) NLRP3IL1BTNF
SCHEMBL24575705 0.84 NLRP3 (0.67) NLRP3IL1BTNFCHEK2
SCHEMBL25302533 0.83 CDK7 (0.41) NLRP3IL1BCHEK2
SCHEMBL25302529 0.83 CDK7 (0.41) NLRP3IL1BCHEK2

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
EP-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed