SCHEMBL14217786

SCHEMBL14217786

C=C(C/N=C1\NC(=C)N(c2ccc3[nH]cnc3c2)C1c1cc2c(cc1Br)OCO2)NN1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.32
▸ CDK1 P06493 1/20 0.31

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
SCHEMBL16472468 0.93 QPCT (0.34) QPCTCDK1
SCHEMBL5134318 0.84 QPCT (0.34) QPCT
SCHEMBL5134317 0.84 QPCT (0.34) QPCT
SCHEMBL5056594 0.81 QPCT (0.39) QPCT
SCHEMBL5056589 0.81 QPCT (0.39) QPCT
SCHEMBL14076468 0.71 QPCT (0.46) QPCT
SCHEMBL5053561 0.71 QPCT (0.46) QPCT
SCHEMBL16456681 0.67 QPCT (0.38) QPCT
SCHEMBL14076682 0.67 QPCT (0.38) QPCT
SCHEMBL5061973 0.67 QPCT (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — WO disclosed
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