SCHEMBL30833913

SCHEMBL30833913

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C4CC4)C3)nc2C2CC2)c(OCOCC)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.34
CDK12 Q9NYV4 2/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
NLRP3 Q96P20 6/20 0.33
CCNT1 O60563 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
KCNH2 Q12809 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL30488522 0.91 NLRP3 (0.38) CCNKCDK12NLRP3CCNT1CCNE1
SCHEMBL25257590 0.91 NLRP3 (0.38) CCNKCDK12NLRP3CCNT1CCNE1
SCHEMBL30833904 0.91 NLRP3 (0.38) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25302031 0.91 NLRP3 (0.38) CCNKCDK12NLRP3CCNT1CCNE1
SCHEMBL30833878 0.90 NLRP3 (0.42) CCNKCDK12NLRP3CCNT1CCNE1
SCHEMBL30833993 0.89 NLRP3 (0.34) CCNKCDK12NLRP3CCNT1CCNE1
SCHEMBL30834010 0.87 NLRP3 (0.44) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30833985 0.84 BTK (0.40) CDK2
SCHEMBL30833920 0.84 NLRP3 (0.40) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30833930 0.83 CDK7 (0.39) CCNKCDK12CDK7CCNHMNAT1

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