SCHEMBL530344

SCHEMBL530344

Cc1ncc(Nc2c(CC=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cc1CCN1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.76

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
SCHEMBL12504942 0.95 MELK (0.78) MELK
SCHEMBL530334 0.88 MELK (0.77) MELK
SCHEMBL12504951 0.88 MELK (0.76) MELK
SCHEMBL15191212 0.87 MELK (1.00) MELK
Bromide SCHEMBL529201 0.83 MELK (0.71) MELK
SCHEMBL15190688 0.82 MELK (1.00) MELK
SCHEMBL17434948 0.81 MELK (0.79) MELK
SCHEMBL12505177 0.80 MELK (0.75) MELK
SCHEMBL529990 0.80 MELK (0.74) MELK
SCHEMBL12504900 0.77 MELK (0.73) 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