SCHEMBL375993

SCHEMBL375993

CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)[C@@H]5C[C@H](C)CC[C@H]5C(C)C)CC4)cc3OC)nc2N1C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.64
PLK1 P53350 13/20 0.64
PLK3 Q9H4B4 7/20 0.64
ALK Q9UM73 5/20 0.64
TAF1 P21675 5/20 0.64
PLK2 Q9NYY3 5/20 0.64
PRKD3 O94806 3/20 0.64
CLK2 P49760 3/20 0.64
PTK2 Q05397 3/20 0.64
CAMK2G Q13555 3/20 0.64
CAMK2D Q13557 3/20 0.64
PRKD2 Q9BZL6 3/20 0.64
CSNK1G1 Q9HCP0 3/20 0.64
CSNK1G3 Q9Y6M4 3/20 0.64
BRDT Q58F21 3/20 0.64
DAPK3 O43293 2/20 0.64
CHEK2 O96017 2/20 0.64
EGFR P00533 2/20 0.64
FES P07332 2/20 0.64
PHKG2 P15735 2/20 0.64

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
SCHEMBL375831 0.91 PLK1 (0.72) BRD4PLK1PLK3ALKTAF1
SCHEMBL375834 0.88 PLK1 (0.69) BRD4PLK1PLK3ALKTAF1
SCHEMBL375990 0.87 PLK1 (0.63) BRD4PLK1PLK3ALKTAF1
SCHEMBL13260921 0.87 PLK1 (0.63) BRD4PLK1PLK3ALKTAF1
SCHEMBL13227865 0.87 PLK1 (0.63) BRD4PLK1PLK3ALKTAF1
SCHEMBL12360946 0.86 PLK1 (0.77) BRD4PLK1PLK3ALKTAF1
SCHEMBL375991 0.85 BRD4 (0.65) BRD4PLK1PLK3ALKTAF1
SCHEMBL375992 0.85 PLK1 (0.64) BRD4PLK1PLK3ALKTAF1
SCHEMBL13542019 0.85 PLK1 (0.79) BRD4PLK1PLK3ALKTAF1
SCHEMBL376661 0.85 PLK1 (0.70) BRD4PLK1PLK3ALKTAF1

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