SCHEMBL528577

SCHEMBL528577

CN(C)CCc1cccc(Nc2c(CC=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.75

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
SCHEMBL17434994 0.94 MELK (0.80) MELK
SCHEMBL528701 0.91 MELK (0.74) MELK
SCHEMBL529333 0.90 MELK (0.76) MELK
SCHEMBL17434981 0.88 MELK (0.76) MELK
SCHEMBL12505177 0.87 MELK (0.75) MELK
SCHEMBL529048 0.86 MELK (0.73) MELK
SCHEMBL15190820 0.86 MELK (1.00) MELK
SCHEMBL15191268 0.85 MELK (0.79) MELK
SCHEMBL17434895 0.85 MELK (0.79) MELK
SCHEMBL530559 0.83 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