SCHEMBL8344487

SCHEMBL8344487

COc1ccc(-n2ncc3c(N/N=C/c4ccc(C(=O)O)cc4)ncnc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.82
GSK3A P49840 9/20 0.82
ADORA1 P30542 1/20 0.61

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
SCHEMBL6205894 1.00 GSK3B (0.82) GSK3BGSK3AADORA1
SCHEMBL8344158 0.90 GSK3B (1.00) GSK3BGSK3A
SCHEMBL8342954 0.90 GSK3B (0.71) GSK3BGSK3AADORA1
SCHEMBL6363379 0.88 GSK3B (0.78) GSK3BGSK3AADORA1
SCHEMBL6363383 0.88 GSK3B (0.78) GSK3BGSK3AADORA1
SCHEMBL8344464 0.85 GSK3B (1.00) GSK3BGSK3A
SCHEMBL8344589 0.84 GSK3B (0.85) GSK3BGSK3A
SCHEMBL8344797 0.84 GSK3B (0.66) GSK3BGSK3A
SCHEMBL8342571 0.84 GSK3B (0.75) GSK3BGSK3AADORA1
SCHEMBL6071408 0.83 GSK3B (0.76) GSK3BGSK3AADORA1

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-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed