SCHEMBL14735741

SCHEMBL14735741

COc1cc(CO)ccc1[AsH]c1ncc2c(n1)N(C1CCCC1)CC(F)(F)CN2C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.36
BRD4 O60885 2/20 0.36
BRDT Q58F21 2/20 0.36
TTK P33981 2/20 0.34

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
SCHEMBL1675795 0.83 PLK1 (0.52) PLK1BRD4BRDTTTK
SCHEMBL12365396 0.70 PLK1 (0.70) PLK1BRD4BRDTTTK
SCHEMBL3696410 0.69 PLK1 (0.35) PLK1BRD4BRDTTTK
SCHEMBL4552291 0.67 PLK1 (0.65) PLK1BRD4BRDT
SCHEMBL4551690 0.65 LRRK2 (0.59) PLK1BRD4BRDTTTK
SCHEMBL2360464 0.61 IDH1 (0.40) PLK1BRD4BRDTTTK
SCHEMBL24028163 0.55 PTGDR2 (0.49)
SCHEMBL134754 0.55 RECQL (0.67)
SCHEMBL2958828 0.55 RECQL (0.60)
SCHEMBL16959963 0.54 ALDH1A1 (0.48)

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
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed