SCHEMBL5798463

SCHEMBL5798463

COc1ccc(-c2nn3ccccc3c2-c2ccnc(SC)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.48
TGFBR1 P36897 2/20 0.43
TGFBR2 P37173 1/20 0.43
MAPK14 Q16539 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA2B P29275 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CSNK1E P49674 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
DYRK3 O43781 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38

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
SCHEMBL14593090 0.89 MAPK14 (0.49) GSK3BTGFBR1TGFBR2MAPK14ADORA3
SCHEMBL5799690 0.87 MAPK14 (0.57) GSK3BTGFBR1TGFBR2MAPK14ADORA3
SCHEMBL5890443 0.85 POLB (0.46) GSK3BTGFBR1TGFBR2MAPK14ADORA3
SCHEMBL5800758 0.85 MAPK9 (0.39) GSK3BTGFBR1TGFBR2MAPK14ADORA3
SCHEMBL5210526 0.85 TGFBR1 (0.50) GSK3BTGFBR1TGFBR2MAPK14ADORA3
SCHEMBL12997420 0.85 GSK3B (0.50) GSK3BMAPK14ADORA3ADORA2AADORA1
SCHEMBL12997419 0.83 GSK3B (0.58) GSK3BMAPK14ADORA3ADORA2AADORA1
SCHEMBL5208955 0.82 MAPK14 (0.45) GSK3BTGFBR1TGFBR2MAPK14ADORA3
SCHEMBL14627004 0.80 MAPK14 (0.54) GSK3BMAPK14ADORA3ADORA2AADORA1
SCHEMBL13848066 0.79 TGFBR1 (0.42) GSK3BTGFBR1TGFBR2MAPK14ADORA3

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
WO-2006055245-A2 PROCESS FOR PREPARING PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed