SCHEMBL6618448

SCHEMBL6618448

CCc1cc(C(=O)O)ccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 12/20 0.69
▸ MAPK14 Q16539 12/20 0.69
▸ MAPK13 O15264 8/20 0.69
▸ MAPK12 P53778 8/20 0.69
▸ MAPK11 Q15759 8/20 0.69
▸ TGFBR1 P36897 1/20 0.69
▸ GCGR P47871 8/20 0.59
▸ CSNK1D P48730 5/20 0.55
▸ PRKD3 O94806 2/20 0.55
▸ MAP4K4 O95819 2/20 0.55
▸ FRK P42685 2/20 0.55
▸ MAPK9 P45984 2/20 0.55
▸ CSNK1A1 P48729 2/20 0.55
▸ GSK3B P49841 2/20 0.55
▸ PTK6 Q13882 2/20 0.55
▸ CLK4 Q9HAZ1 2/20 0.55
▸ PRKD2 Q9BZL6 1/20 0.55
▸ CSNK1E P49674 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ CIT O14578 1/20 0.53

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
SCHEMBL7991357 0.83 MAPK11 (0.65) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL413667 0.82 MAPK14 (1.00) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL7989834 0.77 MAPK11 (0.71) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL8484309 0.76 KDM4E (0.73) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL28904610 0.76 MAPK13 (0.87) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4569577 0.76 ALOX5 (1.00) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL19868952 0.74 ALOX5 (0.80) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL2649680 0.74 MAPK11 (0.79) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL2649978 0.74 MAPK14 (1.00) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL15075603 0.73 MAPK11 (1.00) ALOX5MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP disclosed
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