SCHEMBL28546954

SCHEMBL28546954

C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1ncc(C#N)c(-c2cccnc2OCC)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.48
▸ JAK3 P52333 3/20 0.47
▸ FGFR4 P22455 7/20 0.45
▸ FGFR1 P11362 3/20 0.45
▸ MAPK3 P27361 7/20 0.45
▸ BTK Q06187 1/20 0.44
▸ FGFR2 P21802 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ TTK P33981 1/20 0.42
▸ RPS6KB2 Q9UBS0 1/20 0.42

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
SCHEMBL21600929 0.88 FLT3 (0.40) EGFRJAK3FGFR1BTK
SCHEMBL21596397 0.86 EGFR (0.49) EGFRJAK3FGFR4FGFR1MAPK3
SCHEMBL30379595 0.85 SLC2A1 (0.43) EGFRJAK3FGFR4FGFR1BTK
SCHEMBL28546957 0.85 SLC2A1 (0.43) EGFRJAK3FGFR4FGFR1BTK
SCHEMBL28537293 0.84 FGFR1 (0.47) EGFRJAK3FGFR4FGFR1MAPK3
SCHEMBL21601040 0.84 EGFR (0.47) EGFRJAK3FGFR4FGFR1MAPK3
SCHEMBL21600869 0.83 CDK7 (0.59) EGFRJAK3FGFR1BTK
SCHEMBL30380016 0.83 CDK7 (0.59) EGFRJAK3FGFR1BTK
SCHEMBL21600800 0.82 JAK3 (0.48) EGFRJAK3FGFR4FGFR1MAPK3
SCHEMBL21596338 0.82 FGFR4 (0.51) EGFRJAK3FGFR4FGFR1MAPK3

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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