SCHEMBL531043

SCHEMBL531043

N[C@H]1CC[C@H](Nc2c(C3(C=O)CC3)cnc3cc(F)c(-c4cc(F)c(O)c(F)c4)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MELK Q14680 19/20 0.53
KCNH2 Q12809 1/20 0.41
ATM Q13315 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
SCHEMBL529017 0.88 MELK (0.66) MELK
SCHEMBL530939 0.88 MELK (0.66) MELK
SCHEMBL12504873 0.84 MELK (0.54) MELK
SCHEMBL15192193 0.83 MELK (0.50) MELK
SCHEMBL529926 0.82 MELK (0.56) MELK
SCHEMBL17435004 0.82 MELK (0.69) MELK
SCHEMBL531044 0.80 MELK (0.80) MELK
SCHEMBL531045 0.80 MELK (0.80) MELK
SCHEMBL530561 0.78 MELK (0.48) MELK
SCHEMBL17434885 0.78 MELK (0.64) 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