SCHEMBL528995

SCHEMBL528995

N[C@H]1CC[C@H](Nc2c(CC=O)cnc3ccc(-c4cc(F)c(O)c(F)c4)cc23)CC1

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
Hydrochloric Acid SCHEMBL12504809 0.88 MELK (0.67) MELK
SCHEMBL10282376 0.88 MELK (0.74) MELK
SCHEMBL12504902 0.85 MELK (0.73) MELK
SCHEMBL529017 0.82 MELK (0.66) MELK
SCHEMBL530939 0.82 MELK (0.66) MELK
SCHEMBL530940 0.81 MELK (1.00) MELK
SCHEMBL529019 0.81 MELK (1.00) MELK
SCHEMBL10281973 0.81 MELK (1.00) MELK
SCHEMBL15191200 0.81 MELK (1.00) MELK
SCHEMBL529018 0.81 MELK (1.00) 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