SCHEMBL30379302

SCHEMBL30379302

C=C(C(N)=O)c1cc(N2CCN(CC)CC2)ccc1Nc1ncc(C#N)c(Oc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.47
▸ PTK2 Q05397 2/20 0.45
▸ JAK3 P52333 2/20 0.44
▸ IGF1R P08069 2/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ FGFR1 P11362 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ RET P07949 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ LTK P29376 1/20 0.44

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
SCHEMBL30380211 0.87 PTK2 (0.51) PTK2IGF1REGFRNUAK2NUAK1
SCHEMBL28531524 0.87 PTK2 (0.51) PTK2IGF1REGFRNUAK2NUAK1
SCHEMBL28546133 0.87 SLC2A1 (0.49) SLC2A1PTK2JAK3IGF1RCSF1R
SCHEMBL30380226 0.87 SLC2A1 (0.49) SLC2A1PTK2JAK3IGF1RCSF1R
SCHEMBL21596338 0.84 FGFR4 (0.51) PTK2JAK3FGFR1JAK2FLT3
SCHEMBL30379391 0.84 LRRK2 (0.49) SLC2A1PTK2JAK3IGF1RCSF1R
Trifluoroacetic Acid SCHEMBL21596381 0.83 PTK2 (0.47) PTK2IGF1REGFRPLK1PLK3
SCHEMBL28525616 0.82 WEE1 (0.57) SLC2A1PTK2JAK3IGF1RCSF1R
SCHEMBL21600825 0.82 EGFR (0.44) PTK2JAK3IGF1RCSF1RFGFR1
SCHEMBL28546957 0.82 SLC2A1 (0.43) SLC2A1PTK2JAK3IGF1RCSF1R

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
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
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