SCHEMBL6202718

SCHEMBL6202718

CC1(C)CN(CC2Cc3ccc(Cl)nc3C2)c2nc(-c3ccncc3)cc(=O)n2C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.36
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL5098716 0.93 GSK3B (0.38) GSK3BCYP1A2CYP2D6
SCHEMBL5109402 0.90 GSK3B (0.36) GSK3BCYP1A2CYP2D6
SCHEMBL5102320 0.90 GSK3B (0.36) GSK3BCYP1A2CYP2D6
SCHEMBL6200666 0.89 GSK3B (0.41) GSK3BCYP1A2CYP2D6
SCHEMBL5095587 0.87 GSK3B (0.36) GSK3BCYP1A2CYP2D6
SCHEMBL5102117 0.86 GSK3B (0.35) GSK3BCYP1A2CYP2D6
SCHEMBL4872163 0.86 GSK3B (0.39) GSK3BCYP1A2CYP2D6
SCHEMBL5098957 0.81 GSK3B (0.40) GSK3BCYP1A2CYP2D6
SCHEMBL5098804 0.81 GSK3B (0.36) GSK3BCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5098918 0.80 GSK3B (0.35) GSK3BCYP1A2CYP2D6

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 5 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-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
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
EP-1340758-A1 Heteroaryl substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed