SCHEMBL21600967

SCHEMBL21600967

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C#N)c(NC2(C)CCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.56
▸ MAP3K7 O43318 3/20 0.52
▸ MAPK3 P27361 7/20 0.50
▸ SRC P12931 4/20 0.50
▸ FGFR1 P11362 3/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MAP2K1 Q02750 1/20 0.50
▸ FGFR4 P22455 1/20 0.49
▸ TTK P33981 1/20 0.49
▸ RPS6KB2 Q9UBS0 1/20 0.49
▸ EGFR P00533 2/20 0.48
▸ SLC2A1 P11166 1/20 0.46
▸ KDR P35968 1/20 0.46

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
SCHEMBL21600966 0.97 JAK3 (0.57) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21600960 0.88 JAK3 (0.58) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21600965 0.85 JAK3 (0.60) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21600959 0.85 JAK3 (0.58) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21601021 0.84 MAP3K7 (0.59) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21596307 0.82 JAK3 (0.64) JAK3MAP3K7SRCFGFR1MAPK1
SCHEMBL21601022 0.82 JAK3 (0.68) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL23581207 0.81 JAK3 (0.61) JAK3MAP3K7MAPK3SRCFGFR1
SCHEMBL21601019 0.81 JAK3 (0.66) JAK3MAP3K7SRCFGFR1MAPK1
SCHEMBL21600754 0.81 JAK3 (0.52) JAK3MAP3K7MAPK3FGFR1MAP2K1

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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