SCHEMBL30834007

SCHEMBL30834007

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(CC)C3)cc2C)c(OCOCC)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.62
IL1B P01584 6/20 0.43
KCNH2 Q12809 1/20 0.40
CCNT1 O60563 1/20 0.35
CCNK O75909 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
ROCK2 O75116 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
SCHEMBL25302189 0.92 NLRP3 (0.55) NLRP3IL1BKCNH2
SCHEMBL25263725 0.92 NLRP3 (0.55) NLRP3IL1BKCNH2
SCHEMBL25304328 0.92 NLRP3 (0.57) NLRP3IL1BKCNH2
SCHEMBL25256129 0.92 NLRP3 (0.57) NLRP3IL1BKCNH2
SCHEMBL25296235 0.91 IL1B (0.54) NLRP3IL1B
SCHEMBL25257343 0.91 IL1B (0.54) NLRP3IL1B
SCHEMBL29030498 0.91 NLRP3 (0.53) NLRP3IL1BKCNH2
SCHEMBL29030493 0.91 NLRP3 (0.53) NLRP3IL1BKCNH2
SCHEMBL31681937 0.90 NLRP3 (0.50) NLRP3IL1BKCNH2CCNT1CCNK
SCHEMBL25300053 0.90 NLRP3 (0.53) NLRP3IL1BKCNH2

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