SCHEMBL8238843

SCHEMBL8238843

Oc1c(Br)cc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 5/20 0.68
▸ MAPT P10636 3/20 0.61
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ HTT P42858 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ CA12 O43570 8/20 0.56
▸ CA1 P00915 8/20 0.56
▸ CA2 P00918 8/20 0.56
▸ CA9 Q16790 8/20 0.56
▸ CHEK1 O14757 1/20 0.54
▸ AURKA O14965 1/20 0.54
▸ DAPK3 O43293 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ PAK4 O96013 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ LCK P06239 1/20 0.54

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
SCHEMBL8238853 0.84 DDX3X (0.61) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL13380966 0.81 DDX3X (1.00) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL13380962 0.81 DDX3X (0.93) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL8241328 0.77 DDX3X (0.59) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL8909166 0.75 DDX3X (0.85) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL8908392 0.75 DDX3X (0.85) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL11913707 0.75 DDX3X (0.69) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL13380954 0.74 MAPT (1.00) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL11913667 0.74 DDX3X (1.00) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL14527789 0.73 DDX3X (0.61) DDX3XMAPTMEN1KMT2AHTT

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
EP-1790345-A1 Triazin beta-secretase inhibitors Esbatech AG (CH) 2007-05-30 — — EP disclosed
WO-2007051333-A1 TRIAZINE BETA-SECRETASE INHIBITORS ONCALIS AG (CH) 2007-05-10 — — WO disclosed
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