SCHEMBL529134

SCHEMBL529134

O=C(c1cnc2ccc(Br)cc2c1NCC1CCNCC1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MELK Q14680 16/20 0.61
MAPK1 P28482 1/20 0.45
KCNH2 Q12809 2/20 0.44
ATM Q13315 2/20 0.44
ATR Q13535 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL15197555 0.89 KCNH2 (0.55) MELKMAPK1KCNH2ATMATR
SCHEMBL530003 0.86 MELK (0.65) MELKMAPK1RXFP1
SCHEMBL15191195 0.85 MAPK1 (0.66) MELKMAPK1GAANPSR1RXFP1
SCHEMBL15191392 0.85 MELK (0.53) MELKMAPK1KCNH2ATMATR
SCHEMBL15191488 0.85 MELK (0.70) MELKMAPK1GAANPSR1RXFP1
SCHEMBL15191489 0.85 MELK (0.70) MELKMAPK1GAANPSR1RXFP1
SCHEMBL531961 0.82 MELK (0.84) MELK
SCHEMBL529576 0.82 MELK (0.71) MELK
SCHEMBL15191143 0.80 MAPK1 (0.64) MELKMAPK1GAANPSR1RXFP1
SCHEMBL27907343 0.80 MAPK1 (0.47) MELKMAPK1KCNH2ATMATR

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