SCHEMBL1833809

SCHEMBL1833809

O=c1cc(-c2ccncn2)nc2n1CCNCC2CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.47
CYP2D6 P10635 2/20 0.43

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
SCHEMBL1835397 0.85 GSK3B (0.44) GSK3BCYP2D6
Bromide SCHEMBL3902828 0.83 GSK3B (0.53) GSK3B
SCHEMBL3664997 0.82 GSK3B (0.48) GSK3BCYP2D6
SCHEMBL1828778 0.79 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL3662162 0.79 GSK3B (0.54) GSK3B
Bromide SCHEMBL3655895 0.78 GSK3B (0.53) GSK3B
SCHEMBL1833225 0.77 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL3659663 0.75 GSK3B (0.51) GSK3B
SCHEMBL1833110 0.73 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL1832809 0.71 GSK3B (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011525908-A 2011-09-29 JP claimed
EP-2321315-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP claimed
WO-2009156864-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO claimed
WO-2009156864-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO disclosed