SCHEMBL31457042

SCHEMBL31457042

Cn1cc(-n2cc(-c3cc(F)cc(CNC(=O)OC(C)(C)C)c3)cn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.46
▸ DYRK1A Q13627 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RIPK2 O43353 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ IRAK1 P51617 1/20 0.37
▸ RET P07949 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ TAS2R8 Q9NYW2 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35

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
SCHEMBL30751323 1.00 MET (0.46) METDYRK1AGSK3BRIPK2SMN1; SMN2
SCHEMBL30751290 0.88 GRM2 (0.44) METDYRK1ASMN1; SMN2PRMT5CA1
SCHEMBL27375154 0.88 GRM2 (0.44) METDYRK1ASMN1; SMN2PRMT5CA1
SCHEMBL30751300 0.87 MET (0.38) METDYRK1AGSK3BRIPK2CA1
SCHEMBL27375308 0.87 MET (0.38) METDYRK1AGSK3BRIPK2CA1
SCHEMBL31456987 0.86 GRM2 (0.38) METDYRK1AGSK3BCA1CA2
SCHEMBL31456992 0.86 MET (0.37) METDYRK1AGSK3BPRMT5WDR77
SCHEMBL31456973 0.86 ADRB2 (0.44) METGRM2TAS2R8
SCHEMBL30751451 0.86 ADRB2 (0.44) METGRM2TAS2R8
SCHEMBL30751302 0.86 MET (0.37) METDYRK1AGSK3BPRMT5WDR77

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-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
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