SCHEMBL12505045

SCHEMBL12505045

O=C(c1cnc2ccc(Br)cc2c1Nc1cnn(C2CCNCC2)c1)C1CC1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 20/20 0.72

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
SCHEMBL15197544 0.89 MELK (0.61) MELK
SCHEMBL530622 0.88 MELK (0.72) MELK
SCHEMBL15191492 0.88 MELK (0.73) MELK
SCHEMBL530335 0.88 MELK (0.73) MELK
SCHEMBL15191473 0.87 MELK (0.60) MELK
SCHEMBL15191477 0.87 MELK (0.60) MELK
SCHEMBL15191199 0.84 MELK (0.57) MELK
SCHEMBL531496 0.84 MELK (1.00) MELK
SCHEMBL529994 0.84 MELK (1.00) MELK
SCHEMBL15199641 0.84 MELK (0.57) 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
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