SCHEMBL529183

SCHEMBL529183

COc1cc(-c2ccc3ncc(C(=O)O)c(NCCCN(C)C)c3c2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MELK Q14680 16/20 0.52
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
FYN P06241 1/20 0.44

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
SCHEMBL10282015 0.89 KMT2A (0.61) MELKKDM4EMEN1GAAKMT2A
SCHEMBL10282210 0.88 MAPT (0.50) KDM4EMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL529682 0.87 MAPT (0.49) KDM4EMEN1GAAKMT2A
SCHEMBL529115 0.86 MELK (0.51) MELKKDM4EMEN1GAAKMT2A
SCHEMBL531008 0.85 KMT2A (0.46) MELKKDM4EMEN1GAAKMT2A
SCHEMBL530888 0.84 KCNH2 (0.54) MELKBRAFKDM4EMEN1GAA
SCHEMBL15191230 0.83 MELK (0.49) MELKRAF1BRAF
SCHEMBL529253 0.80 MAPK1 (0.58) KDM4EMEN1GAAKMT2A
SCHEMBL529687 0.80 CSF1R (0.47) MELKKDM4EMEN1GAAKMT2A
SCHEMBL530085 0.79 KMT2A (0.50) KDM4EMEN1GAAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed