SCHEMBL528940

SCHEMBL528940

CN(C)[C@H]1CC[C@H](Nc2c(CC=O)cnc3ccc(Br)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.57
MELK Q14680 7/20 0.45

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
SCHEMBL528941 1.00 IRAK4 (0.57) IRAK4MELK
SCHEMBL529706 0.90 MELK (0.48) IRAK4MELK
SCHEMBL529084 0.86 IRAK4 (0.55) IRAK4MELK
SCHEMBL529071 0.86 MELK (0.49) IRAK4MELK
SCHEMBL529070 0.86 MELK (0.49) IRAK4MELK
SCHEMBL529374 0.85 MELK (0.50) IRAK4MELK
SCHEMBL529670 0.85 IRAK4 (0.56) IRAK4MELK
SCHEMBL531901 0.81 MELK (0.49) MELK
SCHEMBL529584 0.79 MELK (0.68) IRAK4MELK
SCHEMBL10282076 0.79 MELK (0.68) IRAK4MELK

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