SCHEMBL530441

SCHEMBL530441

O=CCCCc1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.68

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
SCHEMBL15190979 0.86 MELK (0.77) MELK
SCHEMBL529595 0.85 MELK (0.76) MELK
Hydrochloric Acid SCHEMBL529568 0.83 MELK (0.75) MELK
SCHEMBL15197352 0.81 MELK (1.00) MELK
Hydrochloric Acid SCHEMBL12504846 0.80 MELK (0.98) MELK
SCHEMBL15191030 0.80 MELK (1.00) MELK
SCHEMBL529493 0.80 MELK (1.00) MELK
SCHEMBL12505179 0.80 MELK (0.78) MELK
SCHEMBL12504832 0.77 MELK (0.68) MELK
SCHEMBL10282112 0.76 MELK (0.89) 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