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SCHEMBL13722027

SCHEMBL13722027

COc1ccc(C(=O)CNc2nc(-c3ccncn3)cc(=O)n2C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.55
▸ CTNNB1 P35222 1/20 0.49
▸ WNT3A P56704 1/20 0.49
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13722061 0.92 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL13722200 0.89 GSK3B (0.59) GSK3BCYP1A2CYP2D6
SCHEMBL13910495 0.87 GSK3B (0.71) GSK3BCTNNB1WNT3ASMN1; SMN2
SCHEMBL13722148 0.86 GSK3B (0.68) GSK3B
SCHEMBL13721715 0.86 GSK3B (0.59) GSK3BCYP1A2CYP2D6SMN1; SMN2
SCHEMBL13721969 0.86 GSK3B (0.52) GSK3BCYP1A2CYP2D6
SCHEMBL13722185 0.85 GSK3B (0.62) GSK3BCYP2D6
SCHEMBL13722299 0.85 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL13722191 0.85 GSK3B (0.58) GSK3BCYP1A2CYP2D6
SCHEMBL13721924 0.85 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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