SCHEMBL376568

SCHEMBL376568

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.77
PLK3 Q9H4B4 9/20 0.77
PLK2 Q9NYY3 7/20 0.77
BRD4 O60885 12/20 0.77
ALK Q9UM73 5/20 0.77
TAF1 P21675 5/20 0.77
PRKD3 O94806 3/20 0.77
CLK2 P49760 3/20 0.77
PTK2 Q05397 3/20 0.77
CAMK2G Q13555 3/20 0.77
CAMK2D Q13557 3/20 0.77
PRKD2 Q9BZL6 3/20 0.77
CSNK1G1 Q9HCP0 3/20 0.77
CSNK1G3 Q9Y6M4 3/20 0.77
BRDT Q58F21 3/20 0.77
DAPK3 O43293 2/20 0.77
CHEK2 O96017 2/20 0.77
EGFR P00533 2/20 0.77
FES P07332 2/20 0.77
PHKG2 P15735 2/20 0.77

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
SCHEMBL2255319 0.94 PLK1 (0.79) PLK1PLK3PLK2BRD4ALK
SCHEMBL2255307 0.94 PLK1 (0.79) PLK1PLK3PLK2BRD4ALK
SCHEMBL2255311 0.94 PLK1 (0.79) PLK1PLK3PLK2BRD4ALK
SCHEMBL376259 0.93 PLK1 (0.76) PLK1PLK3PLK2BRD4ALK
SCHEMBL376225 0.92 PLK1 (0.77) PLK1PLK3PLK2BRD4ALK
SCHEMBL384005 0.92 PLK1 (0.77) PLK1PLK3PLK2BRD4ALK
SCHEMBL2259781 0.92 PLK1 (0.79) PLK1PLK3PLK2BRD4ALK
SCHEMBL2259784 0.92 PLK1 (0.79) PLK1PLK3PLK2BRD4ALK
SCHEMBL13542018 0.90 PLK1 (0.87) PLK1PLK3PLK2BRD4ALK
SCHEMBL12360948 0.89 PLK1 (0.76) PLK1PLK3PLK2BRD4ALK

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 claimed