SCHEMBL4947142

SCHEMBL4947142

COc1cccc(-c2ccc(Cl)c(NC3=NC(=O)/C(=C\c4ccc5ncccc5c4)S3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.46
DYRK3 O43781 2/20 0.42
DHODH Q02127 1/20 0.42
PIK3CD O00329 1/20 0.40
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
CLK1 P49759 1/20 0.40
CLK3 P49761 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DYRK1A Q13627 1/20 0.40
HASPIN Q8TF76 1/20 0.40
DYRK2 Q92630 1/20 0.40
MYLK2 Q9H1R3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2987157 1.00 ALOX5 (0.46) ALOX5DYRK3DHODHPIK3CDPIM1
SCHEMBL2987153 1.00 ALOX5 (0.46) ALOX5DYRK3DHODHPIK3CDPIM1
SCHEMBL2991240 0.87 DYRK3 (0.41) ALOX5DYRK3PIK3CDPIM1CSNK2A2
SCHEMBL2991237 0.87 DYRK3 (0.41) ALOX5DYRK3PIK3CDPIM1CSNK2A2
SCHEMBL4944050 0.87 DYRK3 (0.41) ALOX5DYRK3PIK3CDPIM1CSNK2A2
SCHEMBL2996594 0.86 DYRK3 (0.47) ALOX5DYRK3PIK3CDPIM1CSNK2A2
SCHEMBL2996588 0.86 DYRK3 (0.47) ALOX5DYRK3PIK3CDPIM1CSNK2A2
SCHEMBL2985121 0.85 DYRK3 (0.46) ALOX5DYRK3PIK3CDPIM1CSNK2A2
SCHEMBL2985118 0.85 DYRK3 (0.46) ALOX5DYRK3PIK3CDPIM1CSNK2A2
SCHEMBL2987712 0.84 DYRK3 (0.44) ALOX5DYRK3PIK3CDPIM1CSNK2A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP claimed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO claimed