SCHEMBL6588693

SCHEMBL6588693

COc1cc2c(C3C(=O)Nc4ccc(C#N)cc43)ncnc2cc1OCCc1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
MAPK7 Q13164 1/20 0.39
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
PDGFRB P09619 13/20 0.36
EGFR P00533 2/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL8501657 0.87 PDE4A (0.37) KDREGFR
SCHEMBL4518666 0.87 PDGFRB (0.46) CHEK1MAPK7FGFR1FLT1FGFR2
Hydrochloric Acid SCHEMBL8501633 0.86 PDE4A (0.37) KDREGFR
Hydrochloric Acid SCHEMBL7206364 0.86 CHEK1 (0.46) CHEK1MAPK7FGFR1FLT1FGFR2
SCHEMBL8525763 0.83 KDR (0.45) CHEK1MAPK7FGFR1FLT1FGFR2
Acetic Acid SCHEMBL4677365 0.83 EGFR (0.36) MAPK7KDREGFR
Hydrochloric Acid SCHEMBL7210163 0.83 KDR (0.44) CHEK1MAPK7FGFR1FLT1FGFR2
SCHEMBL7211883 0.82 CHEK1 (0.53) CHEK1MAPK7PDGFRB
SCHEMBL4506547 0.82 PDGFRB (0.53) CHEK1MAPK7FGFR1FLT1FGFR2
SCHEMBL6671698 0.82 KDR (0.35) MAPK7KDREGFR

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
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO claimed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO disclosed