SCHEMBL529301

SCHEMBL529301

CCCCc1cnc2ccc(Br)cc2c1N[C@H]1CC[C@H](CN(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.49

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
SCHEMBL529378 0.94 MELK (0.50) MELK
SCHEMBL529526 0.89 MELK (0.52) MELK
SCHEMBL17434906 0.87 MELK (0.49) MELK
SCHEMBL17434907 0.87 MELK (0.49) MELK
SCHEMBL530171 0.86 MELK (0.55) MELK
SCHEMBL529688 0.85 MELK (0.51) MELK
SCHEMBL529231 0.83 MELK (0.57) MELK
SCHEMBL15191246 0.81 MELK (0.71) MELK
SCHEMBL15191245 0.81 MELK (0.71) MELK
SCHEMBL15197582 0.81 MELK (0.71) 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