SCHEMBL28531630

SCHEMBL28531630

C=CC(=O)Nc1cc(N2CCC(N(C)C)CC2)c(Cl)cc1Nc1ncc(C#N)c(NC2CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ EGFR P00533 15/20 0.51
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ CCNK O75909 2/20 0.45
▸ CDK12 Q9NYV4 2/20 0.45

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
SCHEMBL21600938 0.97 EGFR (0.50) MAPK3MAPK1EGFRJAK2JAK1
SCHEMBL21600984 0.93 EGFR (0.47) MAPK3MAPK1EGFR
SCHEMBL21600796 0.92 EGFR (0.52) MAPK3MAPK1EGFRJAK2JAK1
SCHEMBL21600815 0.90 MAPK3 (0.44) MAPK3MAPK1EGFRJAK3
SCHEMBL21600822 0.89 EGFR (0.49) MAPK3MAPK1EGFRJAK2JAK1
SCHEMBL21600838 0.88 MAPK3 (0.45) MAPK3EGFRJAK3
SCHEMBL21600878 0.86 MAPK3 (0.43) MAPK3EGFRJAK3
SCHEMBL21596311 0.85 MAPK3 (0.46) MAPK3JAK2JAK1TYK2JAK3
SCHEMBL28525553 0.85 EGFR (0.53) MAPK3EGFRPLK1
SCHEMBL21600797 0.85 EGFR (0.51) MAPK3EGFRJAK2JAK1TYK2

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 2 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
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