SCHEMBL21600976

SCHEMBL21600976

C=CC(=O)Nc1cc(N2CCN(C)CC2=O)ccc1Nc1ncc(C#N)c(NC2CCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.49
▸ MAPK3 P27361 11/20 0.47
▸ TTK P33981 2/20 0.44
▸ MAP3K7 O43318 2/20 0.43
▸ FGFR4 P22455 3/20 0.43
▸ EGFR P00533 1/20 0.42
▸ RPS6KB2 Q9UBS0 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL21600965 0.89 JAK3 (0.60) JAK3MAPK3TTKMAP3K7FGFR4
SCHEMBL21600959 0.87 JAK3 (0.58) JAK3MAPK3TTKMAP3K7FGFR4
SCHEMBL21600978 0.86 JAK3 (0.47) JAK3MAPK3FGFR4EGFRLRRK2
SCHEMBL21596347 0.82 PLK1 (0.56) JAK3MAPK3FGFR4EGFRFGFR1
SCHEMBL21600908 0.80 JAK3 (0.51) JAK3MAPK3TTKMAP3K7FGFR4
SCHEMBL21600958 0.76 JAK3 (0.49) JAK3MAPK3MAP3K7FGFR4EGFR
SCHEMBL21600916 0.76 JAK3 (0.49) JAK3MAPK3TTKFGFR4EGFR
SCHEMBL30379344 0.76 MAPK3 (0.54) JAK3MAPK3FGFR4EGFR
SCHEMBL21600960 0.75 JAK3 (0.58) JAK3MAPK3TTKMAP3K7FGFR4
SCHEMBL21600967 0.75 JAK3 (0.56) JAK3MAPK3TTKMAP3K7FGFR4

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-112313207-B Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2023-02-14 — — CN disclosed
CN-112313207-A Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2021-02-02 — — CN disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 — — WO disclosed
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