SCHEMBL7978702

SCHEMBL7978702

NCCCCN(CCCc1ccccc1)c1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.59
XDH P47989 3/20 0.41
GPR84 Q9NQS5 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
SCHEMBL7996126 0.96 GSK3B (0.63) GSK3BXDH
SCHEMBL7978487 0.82 GSK3B (0.48) GSK3B
SCHEMBL7990818 0.80 GSK3B (0.50) GSK3BXDH
SCHEMBL7992592 0.79 GSK3B (0.56) GSK3BXDH
SCHEMBL7992743 0.77 GSK3B (0.56) GSK3BXDH
SCHEMBL5387930 0.75 GSK3B (1.00) GSK3BXDHGPR84
SCHEMBL5379886 0.75 GSK3B (0.58) GSK3BXDH
SCHEMBL5104864 0.74 GSK3B (0.87) GSK3B
SCHEMBL2403418 0.73 GSK3B (1.00) GSK3B
SCHEMBL5391514 0.73 GSK3B (0.60) GSK3BXDH

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