SCHEMBL10281815

SCHEMBL10281815

CN(C)CCCNc1c(C2=Nc3ccccc3C2)cnc2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MELK Q14680 7/20 0.39
TRIM58 Q8NG06 3/20 0.38
RAD52 P43351 3/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
SLC2A1 P11166 1/20 0.37
APOBEC3A P31941 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TOP1 P11387 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL528829 0.78 MELK (0.40) MELKTRIM58RAD52POLBNPC1
SCHEMBL15190679 0.77 TERT (0.43) MELKTRIM58RAD52POLBNPC1
SCHEMBL10282421 0.75 MELK (0.48) MELKTRIM58
SCHEMBL17450160 0.74 MELK (0.60) MELK
SCHEMBL529115 0.74 MELK (0.51) MELKTRIM58KMT2AMAPK1
SCHEMBL530333 0.73 MELK (0.52) MELKKMT2A
SCHEMBL528976 0.73 MELK (0.39) MELKTRIM58RAD52POLBNPC1
SCHEMBL529565 0.71 MELK (0.48) MELKRAD52POLBKMT2ACYP1A2
SCHEMBL15190668 0.70 KMT2A (0.66) RAD52POLBKMT2ACYP1A2ALDH1A1
SCHEMBL528977 0.70 MELK (0.47) MELKRAD52POLBKMT2ACYP1A2

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