SCHEMBL3570252

SCHEMBL3570252

O=c1cc(-c2ccncn2)nc2n1CCCN2CCc1ccc(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
GSK3B P49841 18/20 0.42
CYP2D6 P10635 8/20 0.42
CYP1A2 P05177 6/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3A P49840 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL4002035 0.89 MAOB (0.48) MAOBGSK3BCYP2D6CYP1A2ALDH1A1
SCHEMBL3572942 0.87 GSK3B (0.53) MAOBGSK3BCYP2D6CYP1A2CSNK1A1
SCHEMBL3576362 0.86 GSK3B (0.42) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3572932 0.78 GSK3B (0.44) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3564673 0.78 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3575962 0.78 GSK3B (0.42) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3579757 0.77 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3574088 0.77 GSK3B (0.46) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3564794 0.76 GSK3B (0.49) GSK3BCYP2D6CYP1A2ALDH1A1
SCHEMBL3573554 0.76 GSK3B (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781440-B2 Use of 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-AVENTIS (FR) 2010-08-24 US claimed
US-7388005-B2 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 for neurodegenerative disorders SANOFI-AVENTIS (FR) 2008-06-17 US claimed
EP-1430056-B1 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 FOR NEURODEGENERATIVE DISORDERS SANOFI AVENTIS (FR) 2005-10-26 EP claimed
EP-1430056-A1 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 FOR NEURODEGENERATIVE DISORDERS Sanofi-Aventis (FR) 2004-06-23 EP claimed
WO-2003027115-A1 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 FOR NEURODEGENERATIVE DISORDERS SANOFI-SYNTHELABO (FR) 2003-04-03 WO claimed
EP-1430056-B1 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 FOR NEURODEGENERATIVE DISORDERS SANOFI AVENTIS (FR) 2005-10-26 EP disclosed