SCHEMBL8342553

SCHEMBL8342553

COc1ccccc1-n1ncc2c(N/N=C/c3ccc(N)nc3)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.75
GSK3A P49840 5/20 0.59
ADORA1 P30542 1/20 0.59

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
SCHEMBL8339138 0.90 GSK3B (0.76) GSK3BGSK3AADORA1
SCHEMBL8344731 0.89 GSK3B (0.75) GSK3BGSK3AADORA1
SCHEMBL6205301 0.89 GSK3B (0.75) GSK3BGSK3AADORA1
SCHEMBL8344915 0.86 GSK3B (0.82) GSK3BGSK3AADORA1
SCHEMBL8339901 0.86 GSK3B (1.00) GSK3BGSK3AADORA1
SCHEMBL8342571 0.84 GSK3B (0.75) GSK3BGSK3AADORA1
SCHEMBL8344002 0.81 GSK3B (0.74) GSK3BGSK3AADORA1
SCHEMBL8344273 0.80 GSK3B (0.61) GSK3BGSK3AADORA1
SCHEMBL8339087 0.78 GSK3B (0.64) GSK3BGSK3AADORA1
SCHEMBL8344283 0.78 GSK3B (0.79) 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