SCHEMBL376162

SCHEMBL376162

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.65
PLK3 Q9H4B4 16/20 0.65
PLK2 Q9NYY3 15/20 0.65
BRD4 O60885 4/20 0.61
TAF1 P21675 1/20 0.61
PARP1 P09874 1/20 0.57
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PRKCG P05129 1/20 0.54
CLK2 P49760 1/20 0.54
RPS6KA3 P51812 1/20 0.54
NEK4 P51957 1/20 0.54
PTK2 Q05397 1/20 0.54
CAMK2G Q13555 1/20 0.54
CAMK2D Q13557 1/20 0.54
SRPK1 Q96SB4 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
CSNK1G1 Q9HCP0 1/20 0.54
CSNK1G3 Q9Y6M4 1/20 0.54

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
SCHEMBL375946 0.91 PLK1 (0.61) PLK1PLK3PLK2BRD4TAF1
SCHEMBL13227773 0.91 PLK1 (0.61) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376167 0.89 PLK1 (0.67) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376326 0.88 PLK1 (0.69) PLK1PLK3PLK2BRD4TAF1
SCHEMBL27757440 0.86 PLK1 (0.57) PLK1PLK3PLK2BRD4TAF1
SCHEMBL27757436 0.86 PLK1 (0.57) PLK1PLK3PLK2BRD4TAF1
SCHEMBL27778426 0.86 PLK1 (0.64) PLK1PLK3PLK2BRD4TAF1
SCHEMBL3785985 0.85 PLK1 (0.63) PLK1PLK3PLK2BRD4TAF1
SCHEMBL13227781 0.85 PLK1 (0.60) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376190 0.84 PLK1 (0.64) 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
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed