SCHEMBL30833904

SCHEMBL30833904

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C4CC4)C3)nc2C)c(OCOCC)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.38
CCNK O75909 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
ROCK2 O75116 1/20 0.30

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
SCHEMBL30833913 0.91 CCNK (0.34) NLRP3CCNKCDK7CCNHMNAT1
SCHEMBL29030501 0.90 NLRP3 (0.41) NLRP3
SCHEMBL29030496 0.90 NLRP3 (0.41) NLRP3
SCHEMBL30833888 0.90 NLRP3 (0.45) NLRP3CCNKCDK12ROCK2
SCHEMBL30833882 0.88 NLRP3 (0.38) NLRP3
SCHEMBL30833891 0.87 NLRP3 (0.54) NLRP3CCNKCDK12ROCK2
SCHEMBL30834002 0.87 NLRP3 (0.38) NLRP3CCNKCDK7CCNHMNAT1
SCHEMBL30833873 0.84 NLRP3 (0.44) NLRP3
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