SCHEMBL5698702

SCHEMBL5698702

Oc1c(Br)cc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.74
MAPK13 O15264 16/20 0.71
MAPK12 P53778 16/20 0.71
MAPK11 Q15759 16/20 0.71
MAPK14 Q16539 16/20 0.71
GCGR P47871 15/20 0.71
PRKD3 O94806 2/20 0.71
MAP4K4 O95819 2/20 0.71
FRK P42685 2/20 0.71
MAPK9 P45984 2/20 0.71
CSNK1A1 P48729 2/20 0.71
CSNK1D P48730 2/20 0.71
GSK3B P49841 2/20 0.71
PTK6 Q13882 2/20 0.71
CLK4 Q9HAZ1 2/20 0.71
PRKD2 Q9BZL6 1/20 0.71
KDM4E B2RXH2 1/20 0.70
CIT O14578 1/20 0.70
GAK O14976 1/20 0.70
RIPK2 O43353 1/20 0.70

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
SCHEMBL4552840 1.00 ALOX5 (0.74) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL2648968 0.86 MAPK14 (0.72) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL4553131 0.85 ALOX5 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL15075603 0.84 MAPK11 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL19868925 0.84 MAPK11 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
Sb-202190 SCHEMBL158854 0.83 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL9195650 0.83 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
Sb-202190 SCHEMBL3386753 0.83 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL2648930 0.83 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL6465326 0.82 MAPK13 (0.74) ALOX5MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed