SCHEMBL27907331

SCHEMBL27907331

CCN(CC)C1CCC(Nc2c(C(C)C(=O)C(C)c3cnc4ccc(-c5ccc(O)c(Cl)c5)cc4c3NC3CCC(N(CC)CC)CC3)cnc3ccc(-c4ccc(O)c(Cl)c4)cc23)CC1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.76

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
SCHEMBL27925467 0.88 MELK (0.78) MELK
SCHEMBL529809 0.86 MELK (1.00) MELK
SCHEMBL10281957 0.85 MELK (1.00) MELK
SCHEMBL12505112 0.84 MELK (1.00) MELK
SCHEMBL529504 0.84 MELK (0.78) MELK
SCHEMBL529810 0.83 MELK (0.73) MELK
SCHEMBL15191526 0.80 MELK (0.68) MELK
SCHEMBL15191088 0.78 MELK (0.66) MELK
SCHEMBL10282295 0.78 MELK (0.84) MELK
SCHEMBL12504799 0.77 MELK (0.64) 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