SCHEMBL6204428

SCHEMBL6204428

CC1(C)CN(CC2COc3ccccc3O2)c2nc(-c3ccncn3)cc(=O)n2C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.40
CYP2D6 P10635 8/20 0.40
CYP1A2 P05177 4/20 0.40
DRD2 P14416 2/20 0.39

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
SCHEMBL5095337 0.88 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL5095329 0.88 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL6630868 0.88 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL6628760 0.85 GSK3B (0.41) GSK3BCYP2D6CYP1A2
Oxalic Acid SCHEMBL5098928 0.85 GSK3B (0.39) GSK3BCYP2D6CYP1A2
SCHEMBL5108456 0.82 DRD2 (0.43) GSK3BCYP2D6CYP1A2DRD2
SCHEMBL3563586 0.81 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL5099053 0.80 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL5102710 0.78 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL3573851 0.77 GSK3B (0.52) GSK3BCYP2D6CYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480983-B1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-11-09 EP claimed
EP-1348708-A1 Heteroaryl substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-10-01 EP claimed
EP-1480983-B1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
EP-1480983-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2004-12-01 EP disclosed
EP-1451164-A2 AMIDE DERIVATIVES HAVING IMPROVED SOLUBILITY PHARMACIA & UPJOHN COMPANY (US) 2004-09-01 EP disclosed
EP-1348708-A1 Heteroaryl substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-10-01 EP disclosed
WO-2003072579-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9- TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2003-09-04 WO disclosed
WO-2003006440-A2 AMIDE-CONTAINING COMPOUND HAVING IMPROVED SOLUBILITY AND METHOD OF IMPROVING THE SOLUBILITY OF AN AMIDE-CONTAINING COMPOUND PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 WO disclosed