SCHEMBL529001

SCHEMBL529001

CN(C)CCNc1ccc(Nc2c(CC=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cn1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.74

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
SCHEMBL529572 0.95 MELK (0.76) MELK
SCHEMBL17434878 0.89 MELK (0.80) MELK
SCHEMBL529000 0.85 MELK (1.00) MELK
SCHEMBL529048 0.85 MELK (0.73) MELK
SCHEMBL12504816 0.83 MELK (0.72) MELK
SCHEMBL529063 0.83 MELK (0.50) MELK
SCHEMBL530731 0.83 MELK (1.00) MELK
Hydrochloric Acid SCHEMBL12504864 0.82 MELK (0.98) MELK
Hydrochloric Acid SCHEMBL530716 0.82 MELK (0.98) MELK
SCHEMBL529571 0.81 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