SCHEMBL376189

SCHEMBL376189

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.64
PLK3 Q9H4B4 14/20 0.64
PLK2 Q9NYY3 13/20 0.64
BRD4 O60885 5/20 0.60
TAF1 P21675 1/20 0.60
PARP1 P09874 2/20 0.57
MAPK7 Q13164 1/20 0.52
DYRK1A Q13627 1/20 0.52
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PRKCG P05129 1/20 0.51
CLK2 P49760 1/20 0.51
RPS6KA3 P51812 1/20 0.51
NEK4 P51957 1/20 0.51
PTK2 Q05397 1/20 0.51
CAMK2G Q13555 1/20 0.51
CAMK2D Q13557 1/20 0.51
SRPK1 Q96SB4 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51
CSNK1G1 Q9HCP0 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
SCHEMBL376190 1.00 PLK1 (0.64) PLK1PLK3PLK2BRD4TAF1
SCHEMBL10143819 0.91 PLK1 (0.61) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376760 0.91 PLK1 (0.60) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376762 0.89 PLK1 (0.61) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376326 0.87 PLK1 (0.69) PLK1PLK3PLK2BRD4TAF1
SCHEMBL3775708 0.87 PLK1 (0.67) PLK1PLK3PLK2BRD4TAF1
SCHEMBL3775720 0.87 PLK1 (0.67) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376761 0.86 BRD4 (0.62) PLK1PLK3PLK2BRD4TAF1
SCHEMBL3785572 0.85 PLK1 (0.55) PLK1PLK3PLK2BRD4TAF1
SCHEMBL3785568 0.85 PLK1 (0.55) 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