SCHEMBL17450106

SCHEMBL17450106

CN1CCC(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(N)c(O)c(Cl)c4)cc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.79

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
SCHEMBL15191089 0.94 MELK (0.85) MELK
SCHEMBL15191043 0.90 MELK (0.81) MELK
SCHEMBL15190841 0.89 MELK (0.79) MELK
SCHEMBL15197642 0.88 MELK (0.77) MELK
SCHEMBL10282281 0.88 MELK (1.00) MELK
SCHEMBL15190683 0.85 MELK (0.77) MELK
SCHEMBL15197588 0.85 MELK (0.86) MELK
SCHEMBL15194976 0.84 MELK (1.00) MELK
SCHEMBL15194970 0.84 MELK (1.00) MELK
SCHEMBL15190959 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
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed