SCHEMBL27354366

SCHEMBL27354366

CC(C)(C)OC(=O)N1CCCC(Nc2nnc(Cl)c3ccccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.50
BTK Q06187 2/20 0.48
PARP1 P09874 1/20 0.46
BRD4 O60885 2/20 0.44
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
HPGDS O60760 1/20 0.43
PIK3CD O00329 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ACKR3 P25106 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL25858601 1.00 USP30 (0.50) USP30BTKPARP1BRD4PIM1
SCHEMBL30108729 1.00 USP30 (0.50) USP30BTKPARP1BRD4PIM1
SCHEMBL30639820 0.94 BTK (0.54) USP30BTKPARP1BRD4PIK3CD
SCHEMBL29131856 0.94 BTK (0.54) USP30BTKPARP1BRD4PIK3CD
SCHEMBL29131857 0.94 BTK (0.54) USP30BTKPARP1BRD4PIK3CD
SCHEMBL29131908 0.89 USP30 (0.43) USP30BTKPARP1PIM1PIM2
SCHEMBL30214807 0.89 USP30 (0.43) USP30BTKPARP1PIM1PIM2
SCHEMBL31043412 0.89 USP30 (0.45) USP30BTKPARP1BRD4PIM1
SCHEMBL29276235 0.89 USP30 (0.43) USP30BTKPARP1PIM1PIM2
SCHEMBL30624719 0.89 USP30 (0.43) USP30BTKPARP1PIM1PIM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141535-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2024-07-04 WO disclosed
CN-116969920-A Fused pyridazine derivative, preparation method and medical application thereof 上海辉启生物医药科技有限公司 2023-10-31 CN disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed