SCHEMBL12505068

SCHEMBL12505068

CN(C)C1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1.COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCC(N(C)C)C5)nc4)c3c2)cc(Cl)c1O

nearest known ligand 0.99

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 20/20 0.99

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
SCHEMBL15190897 0.99 MELK (1.00) MELK
SCHEMBL15190653 0.94 MELK (1.00) MELK
SCHEMBL12505109 0.91 MELK (1.00) MELK
SCHEMBL15191115 0.90 MELK (1.00) MELK
SCHEMBL530009 0.90 MELK (1.00) MELK
SCHEMBL529091 0.88 MELK (0.88) MELK
SCHEMBL528764 0.88 MELK (1.00) MELK
SCHEMBL15191303 0.88 MELK (1.00) MELK
SCHEMBL15191663 0.88 MELK (1.00) MELK
SCHEMBL12505187 0.88 MELK (1.00) 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
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