SCHEMBL14734896

SCHEMBL14734896

C[C@@H]1CCC(N2CC(F)(F)C(=O)N(C)c3cnc(Cl)nc32)C1.C[C@@H]1CCC(N2CC(F)(F)C(=O)Nc3cnc(Cl)nc32)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.39
BRD4 O60885 1/20 0.37
BRDT Q58F21 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
SCHEMBL1675895 0.92 PLK1 (0.43) PLK1BRD4BRDT
SCHEMBL1675925 0.91 PTPN11 (0.30)
SCHEMBL30135708 0.80 PLK1 (0.53) PLK1BRD4BRDT
SCHEMBL1559681 0.80 PLK1 (0.53) PLK1BRD4BRDT
SCHEMBL1560746 0.80 PLK1 (0.51) PLK1BRD4BRDT
SCHEMBL1559399 0.79 PLK1 (0.52) PLK1BRD4BRDT
SCHEMBL1559101 0.77 PLK1 (0.33) PLK1BRD4BRDT
SCHEMBL1560603 0.77 KDM4E (0.32) PLK1
SCHEMBL1675579 0.76 KMT2A (0.33) PLK1
SCHEMBL4076292 0.72 PIK3CA (0.33)

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