SCHEMBL6206486

SCHEMBL6206486

COc1cccc(-n2ncc3c(O)ncnc32)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.60
SLC2A1 P11166 2/20 0.60
SLC2A2 P11168 2/20 0.60
SLC2A3 P11169 2/20 0.60
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
HPGD P15428 1/20 0.59
XBP1 P17861 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GSK3A P49840 3/20 0.56
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP17A1 P05093 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL8338958 0.87 GSK3B (0.57) GSK3BSLC2A1SLC2A2SLC2A3MAPT
SCHEMBL6205500 0.85 XDH (0.71) SLC2A1SLC2A2SLC2A3MAPTALDH1A1
SCHEMBL839950 0.84 SLC2A1 (0.60) GSK3BSLC2A1SLC2A2SLC2A3MAPT
SCHEMBL3875705 0.84 XDH (0.74) GSK3BSLC2A1SLC2A2SLC2A3MAPT
SCHEMBL8344009 0.84 GSK3B (0.57) GSK3BSLC2A1SLC2A2SLC2A3MAPT
SCHEMBL6207703 0.81 SLC2A1 (0.58) GSK3BSLC2A1SLC2A2SLC2A3MAPT
SCHEMBL6204755 0.81 GSK3B (0.54) GSK3BMAPTALDH1A1HSD17B10KDM4E
SCHEMBL6205850 0.81 TP53 (0.62) MAPTALDH1A1HSD17B10KDM4EMEN1
SCHEMBL6203816 0.81 MAPT (0.68) GSK3BMAPTALDH1A1HSD17B10KDM4E
SCHEMBL1353714 0.81 TSHR (0.53) GSK3BSLC2A1SLC2A2SLC2A3MAPT

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
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed