SCHEMBL13910263

SCHEMBL13910263

COc1ccc(Br)cc1C(=O)CNc1nc(-c2ccncc2)cc(=O)n1C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.63
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ DUSP3 P51452 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
SCHEMBL13910421 0.90 GSK3B (0.64) GSK3BMEN1KMT2AALDH1A1
SCHEMBL14063471 0.89 GSK3B (0.71) GSK3BCYP2D6
SCHEMBL13722002 0.88 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL14063468 0.87 GSK3B (0.75) GSK3BKMT2AALDH1A1
SCHEMBL13910495 0.83 GSK3B (0.71) GSK3BMEN1KMT2AALDH1A1
SCHEMBL14063466 0.83 GSK3B (0.80) GSK3B
SCHEMBL13910320 0.83 GSK3B (0.71) GSK3BCYP2D6
SCHEMBL13910423 0.82 GSK3B (0.69) GSK3B
SCHEMBL13910834 0.81 GSK3B (0.78) GSK3B
SCHEMBL14063465 0.81 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 1 patent. 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
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