SCHEMBL530712

SCHEMBL530712

COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(CCN(C)C)CC4)c3c2)ccc1O

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.85

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
SCHEMBL528659 0.92 MELK (1.00) MELK
SCHEMBL529560 0.86 MELK (0.75) MELK
SCHEMBL529165 0.85 MELK (1.00) MELK
SCHEMBL15191020 0.85 MELK (1.00) MELK
SCHEMBL529170 0.82 MELK (0.60) MELK
SCHEMBL10282374 0.82 MELK (1.00) MELK
SCHEMBL17450196 0.82 MELK (0.88) MELK
SCHEMBL10281821 0.80 MELK (0.86) MELK
SCHEMBL15190741 0.80 MELK (1.00) MELK
SCHEMBL530810 0.80 MELK (0.68) MELK

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-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed