SCHEMBL30833909

SCHEMBL30833909

CCOCOc1cc(C=O)ccc1-c1nnc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.40
USP30 Q70CQ3 2/20 0.37
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30834038 0.92 BTK (0.41) BTKUSP30PIM1PIM2HPGD
SCHEMBL25862360 0.92 BTK (0.41) BTKUSP30PIM1PIM2HPGD
SCHEMBL30893679 0.92 BTK (0.41) BTKUSP30PIM1PIM2HPGD
SCHEMBL30833985 0.89 BTK (0.40) BTKUSP30PIM1PIM2JAK2
SCHEMBL30488526 0.87 USP30 (0.37) BTKUSP30PIM1PIM2JAK2
SCHEMBL29030471 0.87 USP30 (0.37) BTKUSP30PIM1PIM2JAK2
SCHEMBL29030472 0.87 USP30 (0.37) BTKUSP30PIM1PIM2JAK2
SCHEMBL30488591 0.87 USP30 (0.37) BTKUSP30PIM1PIM2JAK2
SCHEMBL25303599 0.86 NLRP3 (0.38) CDK2
SCHEMBL25303600 0.86 NLRP3 (0.38) CDK2

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