SCHEMBL529128

SCHEMBL529128

NC1CCCN(c2ccc(Nc3c(CC=O)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.76

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
SCHEMBL529634 0.96 MELK (0.75) MELK
Hydrochloric Acid SCHEMBL531164 0.90 MELK (0.76) MELK
SCHEMBL529409 0.90 MELK (0.81) MELK
SCHEMBL529485 0.90 MELK (0.78) MELK
SCHEMBL12504812 0.88 MELK (0.76) MELK
Hydrochloric Acid SCHEMBL531994 0.87 MELK (0.76) MELK
SCHEMBL530855 0.86 MELK (1.00) MELK
SCHEMBL530164 0.86 MELK (1.00) MELK
SCHEMBL529532 0.86 MELK (1.00) MELK
SCHEMBL12505175 0.86 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