SCHEMBL30833989

SCHEMBL30833989

CCN1CCC[C@@H](Nc2nnc(Br)c(C3CC3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.40
NLRP3 Q96P20 11/20 0.36
IL1B P01584 3/20 0.36
KCNH2 Q12809 1/20 0.36
CCNT1 O60563 2/20 0.35
CCNK O75909 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
GAA P10253 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ITK Q08881 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
SCHEMBL30833937 0.86 NLRP3 (0.45) NLRP3IL1BROCK2ROCK1
SCHEMBL25302097 0.84 KAT2B (0.39) NLRP3IL1BCCNT1CCNKCCNE1
SCHEMBL25302099 0.84 KAT2B (0.39) NLRP3IL1BCCNT1CCNKCCNE1
SCHEMBL30833928 0.81 KAT2B (0.33) NLRP3CCNT1CCNKCCNE1CDK2
SCHEMBL24695417 0.75 CAMK2D (0.41) CAMK2DNLRP3IL1BKCNH2CCNT1
SCHEMBL24695702 0.75 CAMK2D (0.45) CAMK2DNLRP3IL1BKCNH2ITK
SCHEMBL29159546 0.75 CAMK2D (0.45) CAMK2DNLRP3IL1BKCNH2ITK
SCHEMBL30488557 0.74 BTK (0.49)
SCHEMBL30833987 0.72 NLRP3 (0.56) CAMK2DNLRP3IL1BKCNH2CCNT1
SCHEMBL31367803 0.72 NLRP3 (0.57) CAMK2DNLRP3IL1BKCNH2

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