SCHEMBL529607

SCHEMBL529607

CC(C)C(=O)c1cnc2ccc(Br)cc2c1NC1CCCCC1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MELK Q14680 10/20 0.46
RXFP1 Q9HBX9 3/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
PDE4B Q07343 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ATM Q13315 2/20 0.38
ATR Q13535 2/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL531593 0.89 TSHR (0.50) MELKRXFP1GAANPSR1MAPK1
SCHEMBL15190946 0.87 MELK (0.55) MELKRXFP1GAANPSR1
SCHEMBL529622 0.87 MELK (0.55) MELKRXFP1GAANPSR1
SCHEMBL531466 0.85 MELK (0.47) MELKRXFP1GAANPSR1MAPK1
SCHEMBL529166 0.82 MELK (0.70) MELK
SCHEMBL530025 0.82 MELK (0.70) MELK
SCHEMBL529464 0.81 MELK (0.71) MELKATMATRKCNH2
SCHEMBL15197559 0.81 MELK (0.57) MELKRXFP1GAANPSR1
SCHEMBL531437 0.80 MELK (0.69) MELK
SCHEMBL15191172 0.80 MELK (0.69) 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 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