SCHEMBL27751609

SCHEMBL27751609

N#Cc1ccc(-c2ccnc(C=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
MMP3 P08254 2/20 0.42
MMP2 P08253 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP11B2 P19099 1/20 0.41
MYC P01106 1/20 0.41
HSD11B1 P28845 1/20 0.40
MAPKAPK2 P49137 2/20 0.39
PGR P06401 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL7609085 0.82 ERN1 (0.38) MAPKAPK2PSEN1PSEN2APH1BNCSTN
SCHEMBL481107 0.80 CLK4 (0.39) CA1CA2EGLN2
SCHEMBL29956567 0.80 CLK4 (0.39) CA1CA2EGLN2
SCHEMBL7609087 0.78 ERN1 (0.50) MAP4K4CDK5KIF11
SCHEMBL25244672 0.77 FDPS (0.44) MAPKAPK2PSEN1PSEN2APH1BNCSTN
SCHEMBL30479916 0.77 FDPS (0.44) MAPKAPK2PSEN1PSEN2APH1BNCSTN
SCHEMBL27863825 0.77 ERN1 (0.39) CA12CA2CA9CCNB2CDK1
SCHEMBL27751607 0.77 MAP4K4 (0.46) MAP4K4GSK3BPSEN1PSEN2APH1B
SCHEMBL2084619 0.77 EGFR (0.45) MAP4K4MAPKAPK2
SCHEMBL29935212 0.77 EGFR (0.45) MAP4K4MAPKAPK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506149-A Prolyl hydroxylase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN claimed
CN-101506149-B Prolyl hydroxylase inhibitors and methods of use PROCTER & GAMBLE 2012-11-14 CN disclosed
CN-101506149-A Prolyl hydroxylase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN disclosed