SCHEMBL14217695

SCHEMBL14217695

S=C1N/C(=N/CCc2cccs2)C(c2cc3c(cc2Br)OCO3)N1c1ccc2nc[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 19/20 0.39
▸ CDK1 P06493 1/20 0.33
▸ QPCTL Q9NXS2 1/20 0.33

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
SCHEMBL5058061 1.00 QPCT (0.39) QPCTCDK1QPCTL
SCHEMBL14076657 0.92 QPCT (0.46) QPCTQPCTL
SCHEMBL5053692 0.92 QPCT (0.46) QPCTQPCTL
SCHEMBL14076385 0.87 QPCT (0.41) QPCTCDK1QPCTL
SCHEMBL5056658 0.80 QPCT (0.42) QPCTCDK1
SCHEMBL14076586 0.80 QPCT (0.42) QPCTCDK1
SCHEMBL14076387 0.72 QPCT (0.32) QPCT
SCHEMBL5056527 0.72 QPCT (0.32) QPCT
SCHEMBL16456717 0.72 QPCT (0.32) QPCT
SCHEMBL14076578 0.72 QPCT (0.30) QPCT

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-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — WO disclosed
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