SCHEMBL28546957

SCHEMBL28546957

C=C(C(N)=O)c1cc(N2CCN(CC)CC2)ccc1Nc1ncc(C#N)c(-c2cccnc2OCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.43
▸ FLT3 P36888 4/20 0.42
▸ IGF1R P08069 3/20 0.42
▸ CDK7 P50613 3/20 0.42
▸ PTK2 Q05397 3/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ ALK Q9UM73 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
▸ PIM1 P11309 1/20 0.42
▸ PDGFRA P16234 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
SCHEMBL30379595 1.00 SLC2A1 (0.43) SLC2A1FLT3IGF1RCDK7PTK2
SCHEMBL28546954 0.85 EGFR (0.48) JAK3FGFR1BTKFGFR2FGFR4
SCHEMBL28546133 0.85 SLC2A1 (0.49) SLC2A1FLT3IGF1RCDK7PTK2
SCHEMBL30380226 0.85 SLC2A1 (0.49) SLC2A1FLT3IGF1RCDK7PTK2
SCHEMBL28537296 0.84 FLT3 (0.49) SLC2A1FLT3IGF1RCDK7PTK2
SCHEMBL30379427 0.84 FLT3 (0.49) SLC2A1FLT3IGF1RCDK7PTK2
SCHEMBL21600929 0.83 FLT3 (0.40) FLT3IGF1RCDK7PTK2JAK3
SCHEMBL30379302 0.82 SLC2A1 (0.47) SLC2A1FLT3IGF1RCDK7PTK2
SCHEMBL30379391 0.81 LRRK2 (0.49) SLC2A1FLT3IGF1RCDK7PTK2
SCHEMBL28525616 0.80 WEE1 (0.57) SLC2A1FLT3IGF1RCDK7PTK2

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 2 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
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