SCHEMBL13722002

SCHEMBL13722002

COc1ccc(Br)cc1C(=O)CNc1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.49
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41

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
SCHEMBL13722299 0.90 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL13721482 0.89 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL13910263 0.88 GSK3B (0.63) GSK3BCYP1A2CYP2D6
SCHEMBL13722191 0.88 GSK3B (0.58) GSK3BCYP1A2CYP2D6
SCHEMBL13722027 0.84 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL13721987 0.84 GSK3B (0.61) GSK3B
SCHEMBL13721496 0.84 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL13721969 0.83 GSK3B (0.52) GSK3BCYP1A2CYP2D6
SCHEMBL13721420 0.82 GSK3B (0.60) GSK3B
SCHEMBL13722178 0.81 GSK3B (0.61) GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 — — US disclosed
US-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 — — US disclosed
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