SCHEMBL529371

SCHEMBL529371

NC(=O)OC1CCCCC1Nc1c(C(=O)C2CC2)cnc2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MELK Q14680 19/20 0.64
KCNH2 Q12809 1/20 0.47
ATM Q13315 1/20 0.47
ATR Q13535 1/20 0.47

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
SCHEMBL529710 0.84 MELK (0.66) MELK
SCHEMBL15190852 0.83 MELK (0.77) MELK
SCHEMBL15190851 0.83 MELK (0.77) MELK
SCHEMBL15190952 0.78 MELK (1.00) MELK
SCHEMBL10282084 0.78 MELK (1.00) MELK
SCHEMBL530521 0.77 MELK (0.69) MELK
SCHEMBL15197583 0.76 MELK (0.81) MELK
SCHEMBL528616 0.73 MELK (0.70) MELK
SCHEMBL530617 0.73 MELK (0.67) MELK
SCHEMBL15191422 0.72 MELK (0.70) 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