SCHEMBL30833985

SCHEMBL30833985

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.40
USP30 Q70CQ3 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 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
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIM1 P11309 2/20 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
SCHEMBL30833925 0.92 BTK (0.41) BTKUSP30TRPV1HPGDKDM4E
SCHEMBL30893689 0.92 BTK (0.41) BTKUSP30TRPV1HPGDKDM4E
SCHEMBL25295324 0.91 BTK (0.40) BTKUSP30TRPV1PIM1PIM2
SCHEMBL30488497 0.91 BTK (0.40) BTKUSP30TRPV1PIM1PIM2
SCHEMBL29030477 0.91 BTK (0.40) BTKUSP30TRPV1PIM1PIM2
SCHEMBL29030534 0.90 BTK (0.40) BTKUSP30TRPV1MAPK1PIM1
SCHEMBL29030536 0.90 BTK (0.40) BTKUSP30TRPV1MAPK1PIM1
SCHEMBL30488580 0.90 BTK (0.40) BTKUSP30TRPV1MAPK1PIM1
SCHEMBL30833909 0.89 BTK (0.40) BTKUSP30TRPV1JAK2JAK1
SCHEMBL29030561 0.87 NLRP3 (0.38) BTKUSP30JAK2JAK1PIM1

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