SCHEMBL2491257

SCHEMBL2491257

CCC1[C@H](N(C)c2nc(-c3ccncn3)cc(=O)n2C)CCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.47
CYP2D6 P10635 2/20 0.40

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
SCHEMBL2491914 0.89 GSK3B (0.41) GSK3BCYP2D6
SCHEMBL2490276 0.82 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL3737510 0.82 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL2490130 0.80 GSK3B (0.48) GSK3BCYP2D6
SCHEMBL3754542 0.79 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL2489315 0.75 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL2487402 0.75 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL2491003 0.75 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL2491255 0.75 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL13046835 0.75 GSK3B (0.49) GSK3BCYP2D6

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