SCHEMBL10281850

SCHEMBL10281850

COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CCNCC5)cc4)c3c2)cc(Cl)c1O

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.85

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
SCHEMBL530607 0.94 MELK (0.89) MELK
SCHEMBL15190849 0.92 MELK (1.00) MELK
SCHEMBL12504857 0.91 MELK (1.00) MELK
SCHEMBL529624 0.88 MELK (0.77) MELK
SCHEMBL15191198 0.88 MELK (1.00) MELK
SCHEMBL529567 0.87 MELK (1.00) MELK
SCHEMBL15197314 0.87 MELK (1.00) MELK
SCHEMBL12504976 0.87 MELK (1.00) MELK
SCHEMBL10282024 0.86 MELK (0.78) MELK
SCHEMBL15190796 0.86 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-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed