SCHEMBL376326

SCHEMBL376326

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

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.69
PLK3 Q9H4B4 14/20 0.69
PLK2 Q9NYY3 14/20 0.69
BRD4 O60885 5/20 0.65
TAF1 P21675 1/20 0.65
PARP1 P09874 2/20 0.60
MAPK7 Q13164 1/20 0.55
DYRK1A Q13627 1/20 0.55

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
SCHEMBL376078 0.90 PLK1 (0.64) PLK1PLK3PLK2BRD4TAF1
SCHEMBL3779666 0.88 PLK1 (0.61) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376162 0.88 PLK1 (0.65) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376189 0.87 PLK1 (0.64) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376190 0.87 PLK1 (0.64) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376050 0.86 PLK1 (0.71) PLK1PLK3PLK2BRD4TAF1
SCHEMBL17507106 0.86 BRD4 (0.76) PLK1PLK3PLK2BRD4TAF1
SCHEMBL17507107 0.86 BRD4 (0.76) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376761 0.85 BRD4 (0.62) PLK1PLK3PLK2BRD4TAF1
SCHEMBL376015 0.84 PLK1 (0.77) 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