SCHEMBL10281968

SCHEMBL10281968

COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(CN5CCCC5)CC4)c3c2)cc(C)c1O

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.86

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
SCHEMBL529264 0.92 MELK (1.00) MELK
SCHEMBL15190694 0.92 MELK (1.00) MELK
SCHEMBL10282429 0.90 MELK (0.71) MELK
SCHEMBL15197663 0.88 MELK (0.74) MELK
SCHEMBL10281972 0.85 MELK (1.00) MELK
SCHEMBL10282027 0.84 MELK (0.86) MELK
SCHEMBL28804065 0.84 MELK (0.86) MELK
SCHEMBL15190920 0.84 MELK (1.00) MELK
SCHEMBL10282479 0.82 MELK (0.75) MELK
SCHEMBL529276 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed