SCHEMBL9435546

SCHEMBL9435546

Sc1nc(-c2ccncc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 18/20 0.56
MAPK12 P53778 18/20 0.56
MAPK11 Q15759 18/20 0.56
MAPK14 Q16539 18/20 0.56
RAF1 P04049 5/20 0.56
MAPK9 P45984 3/20 0.56
GCGR P47871 13/20 0.53
PRKD3 O94806 2/20 0.53
MAP4K4 O95819 2/20 0.53
FRK P42685 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CSNK1D P48730 2/20 0.53
GSK3B P49841 2/20 0.53
PTK6 Q13882 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
PRKD2 Q9BZL6 1/20 0.53
BRAF P15056 3/20 0.47
ALOX5 P09917 3/20 0.47
KDM4E B2RXH2 1/20 0.46
CIT O14578 1/20 0.46

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
SCHEMBL5098384 0.90 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL4285506 0.90 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL9340175 0.86 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL9339561 0.86 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL1172425 0.82 KDM4E (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5446798 0.78 GCGR (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7300360 0.78 NPY5R (0.39) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5435606 0.78 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL9666048 0.78 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL5445232 0.78 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP claimed
EP-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed