SCHEMBL30833928

SCHEMBL30833928

[2H]C([2H])([2H])N1CCC[C@@H](Nc2nnc(Br)c(C3CC3)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 10/20 0.33
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
NLRP3 Q96P20 1/20 0.32
BPTF Q12830 1/20 0.32
PIM1 P11309 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL25302099 0.91 KAT2B (0.39) KAT2BCCNT1CCNKCCNE1CDK2
SCHEMBL25302097 0.91 KAT2B (0.39) KAT2BCCNT1CCNKCCNE1CDK2
SCHEMBL30833989 0.81 CAMK2D (0.40) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30833937 0.76 NLRP3 (0.45) NLRP3
SCHEMBL25294680 0.76 KAT2B (0.41) KAT2BNLRP3BPTFNPC1ALDH1A1
SCHEMBL25253097 0.76 KAT2B (0.41) KAT2BNLRP3BPTFNPC1ALDH1A1
SCHEMBL30488557 0.74 BTK (0.49) ALDH1A1MAPT
SCHEMBL25302146 0.74 BTK (0.49) ALDH1A1MAPT
SCHEMBL25263699 0.74 BTK (0.49) ALDH1A1MAPT
SCHEMBL25294691 0.70 CCNT1 (0.41) CCNT1CCNKCCNE1CDK2CDK9

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 3 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
WO-2024094185-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2024-05-10 WO 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