SCHEMBL21600959

SCHEMBL21600959

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C#N)c(NC2CCCCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.58
▸ MAP3K7 O43318 2/20 0.52
▸ MAPK3 P27361 8/20 0.52
▸ SRC P12931 3/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MAP2K1 Q02750 1/20 0.50
▸ EGFR P00533 4/20 0.49
▸ FGFR4 P22455 2/20 0.49
▸ TTK P33981 1/20 0.49
▸ RPS6KB2 Q9UBS0 1/20 0.49
▸ BTK Q06187 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ BLK P51451 1/20 0.48

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 0.98 JAK3 (0.60) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21596347 0.88 PLK1 (0.56) JAK3MAPK3FGFR1MAPK1EGFR
SCHEMBL21600908 0.87 JAK3 (0.51) JAK3MAP3K7MAPK3EGFRFGFR4
SCHEMBL30380067 0.87 CTSC (0.47) JAK3MAP3K7MAPK3FGFR1EGFR
SCHEMBL21596364 0.87 CTSC (0.47) JAK3MAP3K7MAPK3FGFR1EGFR
SCHEMBL21600976 0.87 JAK3 (0.49) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21600960 0.85 JAK3 (0.58) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21600967 0.85 JAK3 (0.56) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21600958 0.84 JAK3 (0.49) JAK3MAP3K7MAPK3FGFR1EGFR
SCHEMBL21600966 0.84 JAK3 (0.57) JAK3MAP3K7MAPK3SRCFGFR1

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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