SCHEMBL28546192

SCHEMBL28546192

C=C(C(N)=O)c1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C#N)c(NC2CCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 7/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ FGFR2 P21802 1/20 0.57
▸ FGFR4 P22455 1/20 0.57
▸ FGFR3 P22607 1/20 0.57
▸ EGFR P00533 1/20 0.52
▸ ALK Q9UM73 1/20 0.52
▸ SYK P43405 11/20 0.49

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
SCHEMBL28537291 0.88 PLK1 (0.63) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL21596347 0.85 PLK1 (0.56) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28531632 0.83 FGFR1 (0.47) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL21596379 0.83 PLK1 (0.56) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL30379442 0.81 SYK (0.50) FGFR1ALKSYK
SCHEMBL30379391 0.76 LRRK2 (0.49) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28953583 0.75 EGFR (0.49) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL30379338 0.75 SLC2A1 (0.46) PLK1FGFR1SYK
SCHEMBL28909341 0.75 SLC2A1 (0.46) PLK1FGFR1SYK
SCHEMBL21600938 0.75 EGFR (0.50) PLK1EGFR

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
Send feedback