SCHEMBL13722200

SCHEMBL13722200

COc1ccc(C(=O)CNc2nc(-c3ccncn3)cc(=O)n2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.59
▸ CYP2D6 P10635 2/20 0.49
▸ CYP3A4 P08684 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL13722148 0.90 GSK3B (0.68) GSK3B
SCHEMBL13721715 0.90 GSK3B (0.59) GSK3BCYP2D6CYP3A4CYP1A2
SCHEMBL13721865 0.90 GSK3B (0.56) GSK3BCYP2D6
SCHEMBL13722185 0.89 GSK3B (0.62) GSK3BCYP2D6CYP3A4
SCHEMBL13722027 0.89 GSK3B (0.55) GSK3BCYP2D6CYP1A2
SCHEMBL4028511 0.88 GSK3B (0.76) GSK3BCYP2D6CYP1A2
SCHEMBL13721987 0.88 GSK3B (0.61) GSK3B
SCHEMBL13721909 0.88 GSK3B (0.70) GSK3B
SCHEMBL13722172 0.88 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL4031690 0.88 GSK3B (0.75) GSK3BCYP2D6CYP1A2

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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