SCHEMBL28537293

SCHEMBL28537293

C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1ncc(C#N)c(-c2cccc3[nH]ncc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 6/20 0.47
▸ JAK3 P52333 3/20 0.47
▸ FLT3 P36888 3/20 0.47
▸ BTK Q06187 3/20 0.47
▸ KDR P35968 3/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ IGF1R P08069 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ RET P07949 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ PRKACA P17612 1/20 0.47

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
SCHEMBL30380016 0.88 CDK7 (0.59) FGFR1JAK3FLT3BTKKDR
SCHEMBL21600869 0.88 CDK7 (0.59) FGFR1JAK3FLT3BTKKDR
SCHEMBL28537296 0.86 FLT3 (0.49) FGFR1JAK3FLT3BTKKDR
SCHEMBL30379427 0.86 FLT3 (0.49) FGFR1JAK3FLT3BTKKDR
SCHEMBL21601040 0.85 EGFR (0.47) FGFR1JAK3BTKKDREGFR
SCHEMBL21596397 0.85 EGFR (0.49) FGFR1JAK3BTKKDRIGF1R
SCHEMBL28546954 0.84 EGFR (0.48) FGFR1JAK3BTKEGFRFGFR4
SCHEMBL21600800 0.82 JAK3 (0.48) FGFR1JAK3BTKIGF1REGFR
SCHEMBL21600798 0.82 EGFR (0.51) FGFR1JAK3FLT3KDRCDK7
SCHEMBL30379569 0.82 EGFR (0.51) FGFR1JAK3FLT3KDRCDK7

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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