SCHEMBL2487597

SCHEMBL2487597

CC1[C@H](Nc2nc(-c3ccncn3)cc(=O)n2C)CCCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.49
CYP2D6 P10635 4/20 0.44

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
SCHEMBL2490130 0.88 GSK3B (0.48) GSK3BCYP2D6
SCHEMBL2486153 0.88 GSK3B (0.50) GSK3BCYP2D6
SCHEMBL2490563 0.86 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL3744211 0.80 GSK3B (0.52) GSK3BCYP2D6
SCHEMBL2489761 0.76 GSK3B (0.52) GSK3BCYP2D6
SCHEMBL2489766 0.76 GSK3B (0.52) GSK3BCYP2D6
SCHEMBL2489764 0.76 GSK3B (0.52) GSK3BCYP2D6
SCHEMBL2487595 0.75 GSK3B (0.64) GSK3BCYP2D6
SCHEMBL2490129 0.73 GSK3B (0.54) GSK3BCYP2D6
SCHEMBL2488960 0.73 GSK3B (0.49) GSK3B

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-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed