SCHEMBL5698659

SCHEMBL5698659

CS(=O)(=O)c1ccc(-c2[nH]c(-c3cccnc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.75
MAPK14 Q16539 5/20 0.75
MAPK11 Q15759 3/20 0.75
ALDH1A1 P00352 1/20 0.75
CSNK1A1 P48729 1/20 0.75
CSNK1D P48730 1/20 0.75
CSNK1E P49674 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
CSNK1A1L Q8N752 1/20 0.75
PTGS2 P35354 4/20 0.61
PTGS1 P23219 3/20 0.61
MAPK13 O15264 2/20 0.56
GCGR P47871 2/20 0.56
MAPK12 P53778 2/20 0.56

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
SCHEMBL9201148 0.86 MAPK14 (1.00) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL458366 0.86 MAPK14 (1.00) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL4336547 0.86 MAPK14 (1.00) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
Hydrochloric Acid SCHEMBL16566835 0.85 MAPK14 (0.98) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL15075635 0.84 MAPK14 (0.78) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL6440993 0.83 PTGS2 (0.52) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL6249453 0.82 MAPK11 (0.56) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL5698563 0.81 ALOX5 (0.78) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL6930802 0.81 ALOX5 (1.00) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL30874320 0.80 PTGS1 (0.74) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1

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