SCHEMBL13910418

SCHEMBL13910418

COc1cccc(C(=O)CNc2nc(-c3ccncc3)cc(=O)n2C)c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.77
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ BRAF P15056 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13910432 0.90 GSK3B (0.74) GSK3B
SCHEMBL13910314 0.89 GSK3B (0.77) GSK3BCYP2D6
SCHEMBL13910845 0.88 GSK3B (0.83) GSK3B
SCHEMBL13721715 0.88 GSK3B (0.59) GSK3BMAPTALDH1A1CYP2D6TSHR
SCHEMBL4034257 0.87 GSK3B (1.00) GSK3B
SCHEMBL4028435 0.87 GSK3B (1.00) GSK3B
SCHEMBL13910437 0.86 GSK3B (0.68) GSK3B
SCHEMBL14063487 0.86 GSK3B (0.69) GSK3B
SCHEMBL13910440 0.86 GSK3B (0.86) GSK3B
SCHEMBL4029186 0.86 GSK3B (1.00) 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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