SCHEMBL8342930

SCHEMBL8342930

COc1cccc(-n2ncc3c(N/N=C/c4ccnc(Cl)c4)ncnc32)n1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.79
GSK3A P49840 4/20 0.58
ADORA1 P30542 1/20 0.52

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
SCHEMBL8344625 0.88 GSK3B (1.00) GSK3BGSK3A
SCHEMBL6071677 0.88 GSK3B (0.75) GSK3BGSK3AADORA1
SCHEMBL8345510 0.88 GSK3B (0.75) GSK3BGSK3AADORA1
SCHEMBL8339151 0.85 GSK3B (0.81) GSK3BGSK3A
SCHEMBL8343916 0.85 GSK3B (0.83) GSK3BGSK3A
SCHEMBL6071598 0.81 GSK3B (0.73) GSK3BGSK3A
SCHEMBL8344612 0.81 GSK3B (0.73) GSK3BGSK3A
SCHEMBL6071428 0.81 GSK3B (0.76) GSK3BGSK3AADORA1
SCHEMBL6071408 0.81 GSK3B (0.76) GSK3BGSK3AADORA1
SCHEMBL8342451 0.79 GSK3B (0.82) GSK3BGSK3A

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-2004009597-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed