SCHEMBL29131909

SCHEMBL29131909

O=C(O)N1CCC[C@@H](Oc2nnc(Cl)c3ccccc23)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.40
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR2 O43614 2/20 0.37
HCRTR1 O43613 1/20 0.37
MAPT P10636 1/20 0.37
PARP14 Q460N5 1/20 0.37
FAAH O00519 2/20 0.36
PIK3CD O00329 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
LOX P28300 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
DGAT2 Q96PD7 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
SCHEMBL29131913 1.00 BTK (0.40) BTKMEN1GFERKMT2AHCRTR2
SCHEMBL27224460 0.90 BTK (0.45) BTKHCRTR2HCRTR1MAPTPIK3CD
SCHEMBL29276170 0.85 PIK3CD (0.46) PIK3CDJAK2JAK1
SCHEMBL29276175 0.85 PIK3CD (0.46) PIK3CDJAK2JAK1
SCHEMBL24840286 0.81 CHRM2 (0.45) MEN1GFERKMT2A
SCHEMBL30801492 0.81 CHRM2 (0.45) MEN1GFERKMT2A
SCHEMBL28963149 0.78 HCRTR1 (0.43) BTKHCRTR2HCRTR1MAPTPIK3CD
SCHEMBL28963147 0.78 HCRTR1 (0.43) BTKHCRTR2HCRTR1MAPTPIK3CD
SCHEMBL21221766 0.78 PIK3CD (0.51) PIK3CD
SCHEMBL29131878 0.76 IL1B (0.42) BTKLOXL2LOX

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
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
CN-118234711-A Cyclopyridazine compounds 尼科治疗有限公司 2024-06-21 CN 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