SCHEMBL27907352

SCHEMBL27907352

COc1cccc(-c2ccc3ncc(S(C)(=O)=O)c(N4CCC(C(C)N(C)C)CC4)c3c2)c1O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MELK Q14680 15/20 0.74
SSTR2 P30874 4/20 0.43
SSTR4 P31391 1/20 0.41
KCNH2 Q12809 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL27907412 0.93 MELK (0.65) MELKSSTR2SSTR4KCNH2CES2
SCHEMBL27907374 0.87 MELK (0.76) MELKSSTR2SSTR4KCNH2CES2
SCHEMBL27907411 0.85 MELK (0.55) MELKSSTR2SSTR4KCNH2
SCHEMBL15190984 0.85 MELK (1.00) MELK
SCHEMBL27907350 0.85 MELK (0.55) MELKSSTR2SSTR4KCNH2
SCHEMBL17434940 0.81 MELK (0.77) MELKSSTR2
SCHEMBL27925358 0.80 MELK (0.65) MELKSSTR2SSTR4KCNH2CES2
SCHEMBL12505073 0.79 MELK (0.87) MELK
SCHEMBL528824 0.78 MELK (0.69) MELKCES2
SCHEMBL15197673 0.78 MELK (0.78) 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