SCHEMBL529374

SCHEMBL529374

CCN(C)CC1CCC(Nc2c(CC=O)cnc3ccc(Br)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MELK Q14680 19/20 0.50
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL529071 0.86 MELK (0.49) MELKIRAK4
SCHEMBL529070 0.86 MELK (0.49) MELKIRAK4
SCHEMBL529706 0.86 MELK (0.48) MELKIRAK4
SCHEMBL528941 0.85 IRAK4 (0.57) MELKIRAK4
SCHEMBL528940 0.85 IRAK4 (0.57) MELKIRAK4
SCHEMBL529084 0.82 IRAK4 (0.55) MELKIRAK4
SCHEMBL17434906 0.82 MELK (0.49) MELK
SCHEMBL17434907 0.82 MELK (0.49) MELK
SCHEMBL531901 0.82 MELK (0.49) MELK
SCHEMBL530542 0.82 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