SCHEMBL21596307

SCHEMBL21596307

C=CC(=O)Nc1ccc(N2CCN(C)CC2)cc1Nc1ncc(C#N)c(Nc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.64
▸ SRC P12931 12/20 0.60
▸ MAP3K7 O43318 10/20 0.60
▸ FGFR1 P11362 7/20 0.60
▸ MAP2K1 Q02750 4/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ SLC2A1 P11166 1/20 0.58
▸ EGFR P00533 1/20 0.53

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
SCHEMBL21600950 0.89 JAK3 (0.55) JAK3SRCMAP3K7FGFR1MAP2K1
SCHEMBL21601021 0.89 MAP3K7 (0.59) JAK3SRCMAP3K7FGFR1MAP2K1
SCHEMBL21600951 0.87 EGFR (0.57) JAK3SRCMAP3K7FGFR1MAP2K1
SCHEMBL21600914 0.87 JAK3 (0.54) JAK3SRCMAP3K7FGFR1MAP2K1
SCHEMBL23581207 0.84 JAK3 (0.61) JAK3SRCMAP3K7FGFR1MAP2K1
SCHEMBL28540649 0.84 SLC2A1 (0.66) JAK3SLC2A1EGFR
SCHEMBL30378896 0.84 SLC2A1 (0.66) JAK3SLC2A1EGFR
SCHEMBL21600966 0.83 JAK3 (0.57) JAK3SRCMAP3K7FGFR1MAP2K1
SCHEMBL21600787 0.83 SLC2A1 (0.60) JAK3FGFR1MAP2K1SLC2A1EGFR
SCHEMBL21600974 0.83 CTSC (0.52) JAK3SRCMAP3K7FGFR1MAP2K1

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 4 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
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
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
Send feedback