SCHEMBL21600908

SCHEMBL21600908

C=CC(=O)Nc1cc(N2CCN(CC(=O)O)CC2)ccc1Nc1ncc(C#N)c(NC2CCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.51
▸ MAPK3 P27361 13/20 0.48
▸ SYK P43405 1/20 0.42
▸ MAP3K7 O43318 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ FGFR4 P22455 2/20 0.42
▸ TTK P33981 1/20 0.42
▸ RPS6KB2 Q9UBS0 1/20 0.42
▸ PLK1 P53350 1/20 0.41

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
SCHEMBL21600965 0.89 JAK3 (0.60) JAK3MAPK3SYKMAP3K7EGFR
SCHEMBL21600959 0.87 JAK3 (0.58) JAK3MAPK3MAP3K7EGFRFGFR4
SCHEMBL21600914 0.87 JAK3 (0.54) JAK3MAPK3MAP3K7EGFR
SCHEMBL21596347 0.86 PLK1 (0.56) JAK3MAPK3EGFRFGFR4PLK1
SCHEMBL30379344 0.85 MAPK3 (0.54) JAK3MAPK3EGFRFGFR4
SCHEMBL21600916 0.85 JAK3 (0.49) JAK3MAPK3EGFRFGFR4TTK
SCHEMBL21600758 0.85 MAPK3 (0.54) JAK3MAPK3EGFRFGFR4
SCHEMBL21600919 0.84 JAK3 (0.49) JAK3MAPK3EGFRFGFR4
SCHEMBL21600888 0.84 JAK3 (0.51) JAK3MAPK3MAP3K7EGFRFGFR4
SCHEMBL21600889 0.84 JAK3 (0.51) JAK3MAPK3EGFRFGFR4TTK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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