SCHEMBL17434839

SCHEMBL17434839

COc1cc(-c2ccc3ncc(CC4CC4)c(Nc4ccc(CN5CCN(C)CC5)cc4)c3c2)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MELK Q14680 19/20 0.75
JAK1 P23458 1/20 0.49

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
SCHEMBL17434968 0.90 MELK (0.74) MELK
SCHEMBL529920 0.86 MELK (1.00) MELK
SCHEMBL17434864 0.82 MELK (0.77) MELK
SCHEMBL529678 0.81 MELK (0.51) MELK
SCHEMBL530631 0.79 MELK (0.88) MELK
SCHEMBL17434889 0.79 MELK (0.78) MELK
SCHEMBL15190849 0.77 MELK (1.00) MELK
SCHEMBL17434905 0.77 MELK (0.78) MELK
SCHEMBL17434992 0.77 MELK (0.79) MELK
SCHEMBL17434873 0.76 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