SCHEMBL27925359

SCHEMBL27925359

COc1cc(-c2ccc3ncc(C(C)C(=O)C(C)c4cnc5ccc(-c6cc(Cl)c(O)c(OC)c6)cc5c4Nc4ccc(N5CCCC(N)C5)nc4)c(Nc4ccc(N5CCCC(N)C5)nc4)c3c2)cc(Cl)c1O

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 20/20 0.81

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
SCHEMBL27907338 0.96 MELK (0.80) MELK
SCHEMBL10281883 0.89 MELK (1.00) MELK
SCHEMBL530034 0.89 MELK (1.00) MELK
SCHEMBL530416 0.89 MELK (1.00) MELK
SCHEMBL530035 0.89 MELK (1.00) MELK
SCHEMBL28803896 0.87 MELK (0.79) MELK
SCHEMBL530263 0.85 MELK (1.00) MELK
SCHEMBL530009 0.84 MELK (1.00) MELK
SCHEMBL530144 0.83 MELK (0.81) MELK
SCHEMBL530234 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 — — CN disclosed
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