SCHEMBL27757440

SCHEMBL27757440

CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(OCCC(NC(=O)OC(C)(C)C)C(=O)O)cc3)nc2N1C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.57
PLK3 Q9H4B4 17/20 0.57
PLK2 Q9NYY3 17/20 0.57
BRD4 O60885 3/20 0.56
TAF1 P21675 1/20 0.56
PARP1 P09874 1/20 0.51

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
SCHEMBL27757436 1.00 PLK1 (0.57) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376029 0.92 PLK1 (0.54) PLK1PLK3PLK2BRD4TAF1
SCHEMBL13261134 0.92 PLK1 (0.54) PLK1PLK3PLK2BRD4TAF1
SCHEMBL27778420 0.90 PLK1 (0.59) PLK1PLK3PLK2BRD4TAF1
SCHEMBL27778422 0.90 PLK1 (0.59) PLK1PLK3PLK2BRD4TAF1
SCHEMBL3785572 0.87 PLK1 (0.55) PLK1PLK3PLK2BRD4TAF1
SCHEMBL3785568 0.87 PLK1 (0.55) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376242 0.85 BRD4 (0.56) PLK1PLK3PLK2BRD4TAF1
SCHEMBL25785686 0.85 PLK1 (0.67) PLK1PLK3PLK2BRD4TAF1
SCHEMBL375836 0.83 PLK1 (0.56) PLK1PLK3PLK2BRD4TAF1

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
CN-101541800-A Pteridine derivatives as polo-like kinase inhibitors useful in the treatment of cancer CHROMA THERAPEUTICS LTD (GB) 2009-09-23 CN disclosed