SCHEMBL17434993

SCHEMBL17434993

Oc1c(Cl)cc(-c2ccc3ncc(CC4CC4)c(Nc4cncc(CCN5CCCC5)c4)c3c2)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.75

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
SCHEMBL17434948 0.90 MELK (0.79) MELK
SCHEMBL530081 0.86 MELK (1.00) MELK
SCHEMBL17434896 0.85 MELK (0.77) MELK
SCHEMBL15197433 0.84 MELK (1.00) MELK
Hydrochloric Acid SCHEMBL530380 0.83 MELK (0.98) MELK
SCHEMBL12504974 0.81 MELK (1.00) MELK
SCHEMBL17434977 0.81 MELK (0.75) MELK
SCHEMBL15197442 0.79 MELK (1.00) MELK
SCHEMBL10281806 0.79 MELK (0.87) MELK
SCHEMBL17434873 0.79 MELK (0.74) 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
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed