SCHEMBL10282018

SCHEMBL10282018

CCCC(=O)c1cnc2ccc(-c3ccc(C#N)nc3)cc2c1NCCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MELK Q14680 13/20 0.55
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TNF P01375 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 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
SCHEMBL17450214 0.90 MELK (0.54) MELKKDM4EMEN1GAAKMT2A
SCHEMBL531690 0.88 KMT2A (0.60) KDM4EMEN1GAAKMT2A
SCHEMBL10282212 0.85 MELK (0.50) MELKKDM4EMEN1GAAKMT2A
SCHEMBL10281816 0.77 KMT2A (0.61) KDM4EMEN1GAAKMT2A
SCHEMBL10282434 0.77 MELK (0.68) MELK
SCHEMBL10282213 0.77 MELK (0.77) MELK
SCHEMBL529115 0.77 MELK (0.51) MELKKDM4EMEN1GAAKMT2A
SCHEMBL10282210 0.76 MAPT (0.50) KDM4EMEN1GAAKMT2AATM
SCHEMBL530888 0.76 KCNH2 (0.54) MELKKDM4EMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL529682 0.75 MAPT (0.49) KDM4EMEN1GAAKMT2AKCNH2

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
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed