SCHEMBL5548619

SCHEMBL5548619

COc1ccc(OCCNc2nc(C(C)(C)C)cn3c(=O)[nH]nc23)nn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.46
GSK3B P49841 19/20 0.46
ADORA1 P30542 1/20 0.31

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
SCHEMBL3529920 0.87 GSK3A (0.61) GSK3AGSK3B
SCHEMBL3525674 0.85 GSK3B (0.42) GSK3AGSK3BADORA1
SCHEMBL3527708 0.84 GSK3A (0.57) GSK3AGSK3B
SCHEMBL5548893 0.84 GSK3A (0.49) GSK3AGSK3BADORA1
SCHEMBL3527695 0.83 GSK3B (0.42) GSK3AGSK3BADORA1
SCHEMBL5549009 0.83 GSK3A (0.43) GSK3AGSK3BADORA1
SCHEMBL5548481 0.83 GSK3B (0.39) GSK3AGSK3B
SCHEMBL3527204 0.83 GSK3A (0.41) GSK3AGSK3B
SCHEMBL3525341 0.83 GSK3B (0.48) GSK3AGSK3B
SCHEMBL5549831 0.82 GSK3A (0.50) GSK3AGSK3B

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
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed