SCHEMBL530916

SCHEMBL530916

O=C(O)NC1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(Br)cc34)cn2)C1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.62

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
SCHEMBL15191250 0.89 MELK (0.59) MELK
SCHEMBL15191734 0.89 MELK (0.59) MELK
SCHEMBL15190833 0.89 MELK (0.59) MELK
SCHEMBL12505071 0.86 MELK (0.58) MELK
SCHEMBL15190985 0.86 MELK (0.85) MELK
SCHEMBL530842 0.85 MELK (0.59) MELK
SCHEMBL15191255 0.85 MELK (0.72) MELK
SCHEMBL15190807 0.84 MELK (0.58) MELK
SCHEMBL16337231 0.83 MELK (0.61) MELK
SCHEMBL15191462 0.83 MELK (0.59) 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