SCHEMBL376761

SCHEMBL376761

CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(/C(=C/C[C@H](N)C(=O)O)C4CCCC4)cc3)nc2N1C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.62
TAF1 P21675 1/20 0.62
PLK1 P53350 18/20 0.61
PLK3 Q9H4B4 16/20 0.61
PLK2 Q9NYY3 15/20 0.61
PARP1 P09874 1/20 0.55
MAPK7 Q13164 1/20 0.54
DYRK1A Q13627 1/20 0.54
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCG P05129 1/20 0.53
CLK2 P49760 1/20 0.53
RPS6KA3 P51812 1/20 0.53
NEK4 P51957 1/20 0.53
PTK2 Q05397 1/20 0.53
CAMK2G Q13555 1/20 0.53
CAMK2D Q13557 1/20 0.53
SRPK1 Q96SB4 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
CSNK1G1 Q9HCP0 1/20 0.53

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
SCHEMBL376181 0.88 PLK1 (0.67) BRD4TAF1PLK1PLK3PLK2
SCHEMBL376189 0.86 PLK1 (0.64) BRD4TAF1PLK1PLK3PLK2
SCHEMBL376190 0.86 PLK1 (0.64) BRD4TAF1PLK1PLK3PLK2
SCHEMBL376242 0.86 BRD4 (0.56) BRD4TAF1PLK1PLK3PLK2
SCHEMBL376326 0.85 PLK1 (0.69) BRD4TAF1PLK1PLK3PLK2
SCHEMBL17507106 0.84 BRD4 (0.76) BRD4TAF1PLK1PLK3PLK2
SCHEMBL17507107 0.84 BRD4 (0.76) BRD4TAF1PLK1PLK3PLK2
SCHEMBL30110150 0.84 BRD4 (0.76) BRD4TAF1PLK1PLK3PLK2
SCHEMBL376162 0.82 PLK1 (0.65) BRD4TAF1PLK1PLK3PLK2
SCHEMBL17507123 0.82 BRD4 (0.79) BRD4TAF1PLK1PLK3PLK2

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