SCHEMBL21596347

SCHEMBL21596347

C=CC(=O)Nc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C#N)c(NC2CCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.56
▸ FGFR1 P11362 2/20 0.53
▸ FGFR2 P21802 2/20 0.53
▸ FGFR4 P22455 2/20 0.53
▸ FGFR3 P22607 2/20 0.53
▸ JAK3 P52333 1/20 0.50
▸ MAPK3 P27361 10/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ EGFR P00533 4/20 0.48
▸ BTK Q06187 2/20 0.47

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 0.90 JAK3 (0.60) FGFR1FGFR4JAK3MAPK3MAPK1
SCHEMBL21600959 0.88 JAK3 (0.58) FGFR1FGFR4JAK3MAPK3MAPK1
SCHEMBL21596379 0.88 PLK1 (0.56) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL21600938 0.87 EGFR (0.50) PLK1JAK3MAPK3MAPK1EGFR
SCHEMBL21600908 0.86 JAK3 (0.51) PLK1FGFR4JAK3MAPK3EGFR
SCHEMBL28546192 0.85 PLK1 (0.57) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL25139771 0.84 PLK1 (0.60) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL30043654 0.84 PLK1 (0.60) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28537291 0.84 PLK1 (0.63) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28531630 0.84 MAPK3 (0.51) PLK1JAK3MAPK3MAPK1EGFR

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
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
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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