SCHEMBL531901

SCHEMBL531901

O=CCc1cnc2ccc(Br)cc2c1NC1CCC(CN2CCCC2)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
SCHEMBL17434831 0.89 MELK (0.50) MELK
SCHEMBL529084 0.83 IRAK4 (0.55) MELK
SCHEMBL529374 0.82 MELK (0.50) MELK
SCHEMBL10281893 0.81 MELK (0.71) MELK
SCHEMBL531977 0.81 MELK (0.71) MELK
SCHEMBL529071 0.81 MELK (0.49) MELK
SCHEMBL15191628 0.81 MELK (0.71) MELK
SCHEMBL529070 0.81 MELK (0.49) MELK
SCHEMBL10282464 0.81 MELK (0.71) MELK
SCHEMBL528941 0.81 IRAK4 (0.57) 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