SCHEMBL29405237

SCHEMBL29405237

CC(=O)N1CCN(c2ccc(C#N)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.51
GFER P55789 1/20 0.51
ENPP2 Q13822 1/20 0.51
AOC3 Q16853 11/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
EGLN2 Q96KS0 1/20 0.46
EP300 Q09472 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
ALK Q9UM73 1/20 0.44

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
SCHEMBL22919226 1.00 CASP6 (0.51) CASP6GFERENPP2AOC3MEN1
SCHEMBL2894290 0.87 AOC3 (0.45) ENPP2AOC3MAPTEP300
SCHEMBL22914764 0.84 CYP2C9 (0.57) MEN1KMT2A
SCHEMBL2118022 0.82 PANK3 (0.46) ENPP2AOC3MAPT
SCHEMBL1432924 0.82 GPR119 (0.57) MEN1MAPTKMT2AEGLN2
SCHEMBL30893576 0.82 GPR119 (0.57) MEN1MAPTKMT2AEGLN2
SCHEMBL29612110 0.80 CHEK1 (0.51) GFERAOC3MEN1MAPTKMT2A
SCHEMBL151032 0.80 CHEK1 (0.51) GFERAOC3MEN1MAPTKMT2A
SCHEMBL13616130 0.79 CASP6 (0.57) CASP6GFERAOC3MEN1MAPT
SCHEMBL151047 0.78 MAPT (0.46) AOC3MEN1MAPTKMT2A

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-118666853-A N-methyl N- (6- (methoxy) pyridazin-3-yl) amine derivatives for the treatment of inflammatory airway diseases or fibrotic diseases 勃林格殷格翰国际有限公司 2024-09-20 CN disclosed
CN-114206876-B N-methyl, N- (6- (methoxy) pyridazin-3-yl) amine derivatives as modulators of Autotaxin (ATX) for the treatment of inflammatory airway diseases or fibrotic diseases 勃林格殷格翰国际有限公司 2024-05-14 CN disclosed
CN-114206876-A N-methyl, N- (6- (methoxy) pyridazin-3-yl) amine derivatives as Autotaxin (ATX) modulators for the treatment of inflammatory airway diseases or fibrotic diseases 勃林格殷格翰国际有限公司 2022-03-18 CN disclosed