SCHEMBL30833888

SCHEMBL30833888

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(CC)C3)nc2C)c(OCOCC)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.45
CCNT1 O60563 2/20 0.39
CCNK O75909 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
ROCK2 O75116 4/20 0.35
CAMK2D Q13557 1/20 0.35
IL1B P01584 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL30833891 0.92 NLRP3 (0.54) NLRP3CCNT1CCNKCCNE1CDK2
SCHEMBL29030496 0.91 NLRP3 (0.41) NLRP3IL1B
SCHEMBL29030501 0.91 NLRP3 (0.41) NLRP3IL1B
SCHEMBL30833878 0.91 NLRP3 (0.42) NLRP3CCNT1CCNKCCNE1CDK2
SCHEMBL30833904 0.90 NLRP3 (0.38) NLRP3CCNKCDK12ROCK2
SCHEMBL30833882 0.89 NLRP3 (0.38) NLRP3IL1B
SCHEMBL30834007 0.86 NLRP3 (0.62) NLRP3CCNT1CCNKCCNE1CDK2
SCHEMBL30833906 0.86 NLRP3 (0.60) NLRP3CCNT1CCNKCCNE1CDK2
SCHEMBL30893689 0.84 BTK (0.41) NLRP3
SCHEMBL30833925 0.84 BTK (0.41) NLRP3

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