SCHEMBL8486792

SCHEMBL8486792

Cc1nc(-c2ccc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)[nH]3)cc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 1.00
MAPK11 Q15759 16/20 0.70
MAPK14 Q16539 16/20 0.70
MAPK13 O15264 15/20 0.70
MAPK12 P53778 15/20 0.70
GCGR P47871 14/20 0.70
CSNK1A1 P48729 5/20 0.70
CSNK1D P48730 5/20 0.70
PRKD3 O94806 4/20 0.70
MAP4K4 O95819 4/20 0.70
FRK P42685 4/20 0.70
MAPK9 P45984 4/20 0.70
GSK3B P49841 4/20 0.70
CLK4 Q9HAZ1 3/20 0.70
PTK6 Q13882 3/20 0.70
PRKD2 Q9BZL6 3/20 0.70
PRKACA P17612 3/20 0.62
SLK Q9H2G2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
CSNK1E P49674 3/20 0.62

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
SCHEMBL4552303 0.90 ALOX5 (0.82) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL4552301 0.87 ALOX5 (0.77) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL15075603 0.83 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL19868925 0.83 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL2650684 0.82 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL7250551 0.79 ALOX5 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL9195042 0.79 MAPK14 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL4552316 0.79 MAPK14 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL2650702 0.79 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL2648930 0.77 MAPK13 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12

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
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed