SCHEMBL2490563

SCHEMBL2490563

Cn1c(N[C@@H]2CCCN(C(=O)O)C2Cc2ccncc2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.43
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38

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 0.91 GSK3B (0.48) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2487597 0.86 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL3744211 0.76 GSK3B (0.52) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2486153 0.76 GSK3B (0.50) GSK3BCYP2D6CYP1A2
SCHEMBL2490560 0.74 GSK3B (0.51) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2491257 0.73 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL2489761 0.72 GSK3B (0.52) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2489766 0.72 GSK3B (0.52) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2489764 0.72 GSK3B (0.52) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2487595 0.71 GSK3B (0.64) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A

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