SCHEMBL529678

SCHEMBL529678

CN1CCN(Cc2ccc(Nc3c(CC4CC4)cnc4ccc(Br)cc34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MELK Q14680 14/20 0.51
CDK2 P24941 1/20 0.49
FLT3 P36888 1/20 0.49
CCNA1 P78396 1/20 0.49
WEE1 P30291 1/20 0.42
AXL P30530 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL529836 0.84 MELK (0.53) MELKHTT
SCHEMBL17434968 0.83 MELK (0.74) MELK
SCHEMBL10281917 0.83 MELK (0.73) MELK
SCHEMBL17434839 0.81 MELK (0.75) MELK
SCHEMBL530055 0.81 MELK (0.72) MELKCDK2FLT3CCNA1
SCHEMBL529513 0.77 MELK (0.48) MELKCDK2FLT3CCNA1HTT
SCHEMBL529139 0.75 CDK2 (0.51) MELKCDK2FLT3CCNA1WEE1
SCHEMBL529740 0.74 MELK (0.72) MELK
SCHEMBL530493 0.73 MELK (0.71) MELK
SCHEMBL17434992 0.73 MELK (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
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