SCHEMBL7992592

SCHEMBL7992592

O=c1cc(-c2ccncc2)nc(N(CCc2ccccc2)CCc2ccccn2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.56
XDH P47989 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CDC7 O00311 2/20 0.39
BACE1 P56817 1/20 0.39
DBF4 Q9UBU7 1/20 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
SCHEMBL7996126 0.83 GSK3B (0.63) GSK3BXDHCDC7BACE1
SCHEMBL7992743 0.81 GSK3B (0.56) GSK3BXDHCDC7
SCHEMBL7978702 0.79 GSK3B (0.59) GSK3BXDH
SCHEMBL7990818 0.78 GSK3B (0.50) GSK3BXDH
SCHEMBL5379886 0.75 GSK3B (0.58) GSK3BXDHCDC7DBF4
SCHEMBL7993214 0.73 GSK3B (0.48) GSK3BXDH
SCHEMBL5391514 0.73 GSK3B (0.60) GSK3BXDHCDC7
SCHEMBL5198148 0.73 GSK3B (0.52) GSK3BXDH
SCHEMBL5383563 0.73 GSK3B (0.70) GSK3BCDC7
SCHEMBL5390685 0.72 GSK3B (1.00) GSK3BXDHCDC7BACE1

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
WO-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO disclosed