SCHEMBL529951

SCHEMBL529951

O=C(O)NC1CCCCC1Nc1c(C(=O)C2CC2)cnc2cc(F)c(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 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
SCHEMBL15190704 0.87 MELK (0.55) MELK
SCHEMBL15190705 0.87 MELK (0.55) MELK
SCHEMBL15191367 0.79 MELK (0.65) MELK
SCHEMBL15197563 0.79 MELK (0.58) MELK
SCHEMBL15191368 0.79 MELK (0.65) MELK
SCHEMBL530617 0.79 MELK (0.67) MELK
SCHEMBL15190670 0.77 MELK (0.73) MELK
SCHEMBL15190671 0.77 MELK (0.73) MELK
SCHEMBL529710 0.77 MELK (0.66) MELK
SCHEMBL530037 0.77 MELK (0.46) 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