SCHEMBL8345215

SCHEMBL8345215

C(=N/Nc1ncnc2c1cnn2-c1ccccn1)\c1cccnc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.81
GSK3A P49840 3/20 0.61
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL8345738 0.89 GSK3B (1.00) GSK3BGSK3A
SCHEMBL30676716 0.86 GSK3B (0.74) GSK3BGSK3A
SCHEMBL8344002 0.86 GSK3B (0.74) GSK3BGSK3AMAPT
SCHEMBL8343916 0.84 GSK3B (0.83) GSK3BGSK3A
SCHEMBL6071990 0.82 GSK3B (0.75) GSK3BGSK3A
SCHEMBL6071982 0.82 GSK3B (0.75) GSK3BGSK3A
SCHEMBL8344915 0.81 GSK3B (0.82) GSK3BGSK3A
SCHEMBL6071654 0.81 GSK3B (0.67) GSK3BGSK3AMAPT
SCHEMBL6071675 0.81 GSK3B (0.67) GSK3BGSK3AMAPT
SCHEMBL8342510 0.80 GSK3B (0.82) GSK3BGSK3AKDM4E

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