SCHEMBL21596331

SCHEMBL21596331

C=CC(=O)Nc1cc(N2CCN(CC)CC2)cc(C)c1Nc1ncc(C#N)c(NC2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 5/20 0.53
▸ FGFR4 P22455 5/20 0.53
▸ JAK3 P52333 3/20 0.43
▸ EGFR P00533 2/20 0.42
▸ BTK Q06187 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ FLT1 P17948 1/20 0.42

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
SCHEMBL21600933 0.89 FGFR1 (0.43) FGFR1FGFR4JAK3EGFRBTK
SCHEMBL28910559 0.86 SYK (0.44) FGFR1JAK3BTKAURKADAPK3
SCHEMBL30379613 0.86 SYK (0.44) FGFR1JAK3BTKAURKADAPK3
SCHEMBL21596378 0.85 FGFR1 (0.55) FGFR1FGFR4JAK3EGFRBTK
SCHEMBL28546939 0.84 TTK (0.43) FGFR1FGFR4JAK3BTKAURKA
SCHEMBL21596362 0.82 TTK (0.57) FGFR1JAK3BTKAURKADAPK3
SCHEMBL30379344 0.82 MAPK3 (0.54) FGFR4JAK3EGFRBTKPTK2
SCHEMBL21600916 0.82 JAK3 (0.49) FGFR1FGFR4JAK3EGFRBTK
SCHEMBL21600758 0.82 MAPK3 (0.54) FGFR4JAK3EGFRBTKPTK2
SCHEMBL21596311 0.82 MAPK3 (0.46) JAK3JAK2MAPK3

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
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