SCHEMBL21596311

SCHEMBL21596311

C=CC(=O)Nc1cc(N2CCN(CC)CC2)c(Cl)cc1Nc1ncc(C#N)c(NC2CCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 16/20 0.46
▸ JAK3 P52333 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ SYK P43405 2/20 0.43

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
SCHEMBL21600815 0.89 MAPK3 (0.44) MAPK3JAK3SYK
SCHEMBL21600938 0.88 EGFR (0.50) MAPK3JAK3JAK2JAK1TYK2
SCHEMBL21600984 0.88 EGFR (0.47) MAPK3
SCHEMBL21600934 0.86 EGFR (0.49) MAPK3JAK3JAK2JAK1TYK2
SCHEMBL28953581 0.85 SYK (0.49) JAK3JAK2SYK
SCHEMBL28531630 0.85 MAPK3 (0.51) MAPK3JAK3JAK2JAK1TYK2
SCHEMBL21600838 0.85 MAPK3 (0.45) MAPK3JAK3
SCHEMBL21600878 0.83 MAPK3 (0.43) MAPK3JAK3
SCHEMBL21600876 0.82 JAK3 (0.53) MAPK3JAK3JAK2JAK1TYK2
SCHEMBL21596382 0.82 EGFR (0.51) MAPK3JAK3JAK2JAK1TYK2

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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