SCHEMBL30833930

SCHEMBL30833930

C#Cc1ccc(-c2nnc(N[C@@H]3CCCNC3)nc2C2CC2)c(OCOCC)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 13/20 0.39
CCNH P51946 13/20 0.39
MNAT1 P51948 11/20 0.39
CCNK O75909 13/20 0.39
CDK12 Q9NYV4 13/20 0.39
CCNT1 O60563 10/20 0.39
CCNE1 P24864 10/20 0.39
CDK2 P24941 10/20 0.39
CDK9 P50750 10/20 0.39
EHMT2 Q96KQ7 1/20 0.36

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
SCHEMBL30833988 0.90 CCNK (0.39) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31197252 0.89 EHMT2 (0.40) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31197254 0.88 CCNK (0.38) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25302031 0.85 NLRP3 (0.38) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30488522 0.85 NLRP3 (0.38) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25257590 0.85 NLRP3 (0.38) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25299853 0.85 EHMT2 (0.37) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL31197274 0.85 EHMT2 (0.37) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25299854 0.85 EHMT2 (0.37) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30517807 0.85 EHMT2 (0.35) CDK7CCNHMNAT1CCNKCDK12

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