SCHEMBL13910314

SCHEMBL13910314

COc1ccc(C(=O)CNc2nc(-c3ccncc3)cc(=O)n2C)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.77
▸ CYP2D6 P10635 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ ACHE P22303 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
SCHEMBL13910485 0.90 GSK3B (0.85) GSK3B
SCHEMBL13910329 0.90 GSK3B (0.89) GSK3B
SCHEMBL13910464 0.89 GSK3B (0.73) GSK3B
SCHEMBL13910418 0.89 GSK3B (0.77) GSK3BCYP2D6
SCHEMBL13910835 0.88 GSK3B (0.82) GSK3BPOLB
SCHEMBL13910315 0.88 GSK3B (0.82) GSK3B
SCHEMBL13910495 0.88 GSK3B (0.71) GSK3B
SCHEMBL13910833 0.87 GSK3B (0.80) GSK3B
SCHEMBL4028335 0.87 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL14063466 0.87 GSK3B (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427720-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 — — EP disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 — — US disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 — — US disclosed
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