SCHEMBL28537291

SCHEMBL28537291

CN(C)C1CCN(c2ccc(Nc3ncc(C#N)c(NC4CCC4)n3)c(OC(N)=O)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 9/20 0.63
▸ FGFR1 P11362 1/20 0.63
▸ FGFR2 P21802 1/20 0.63
▸ FGFR4 P22455 1/20 0.63
▸ FGFR3 P22607 1/20 0.63
▸ ALK Q9UM73 5/20 0.53
▸ EGFR P00533 3/20 0.53
▸ TTK P33981 2/20 0.49
▸ AURKA O14965 1/20 0.48
▸ INSR P06213 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ ROS1 P08922 1/20 0.48
▸ EML4 Q9HC35 1/20 0.48
▸ LRRK2 Q5S007 1/20 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
SCHEMBL28546192 0.88 PLK1 (0.57) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL21596347 0.84 PLK1 (0.56) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL21596379 0.83 PLK1 (0.56) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28953574 0.81 ALK (0.53) ALKIGF1R
SCHEMBL28537191 0.79 EGFR (0.67) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL30379611 0.76 FGFR1 (0.49) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28532459 0.76 FGFR1 (0.49) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28600015 0.76 MAPK10 (0.52) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28531632 0.74 FGFR1 (0.47) PLK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL28546939 0.74 TTK (0.43) PLK1FGFR1FGFR2FGFR4FGFR3

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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