SCHEMBL7210440

SCHEMBL7210440

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.52
MAPK13 O15264 5/20 0.52
MAPK12 P53778 5/20 0.52
MAPK11 Q15759 5/20 0.52
CSNK1D P48730 3/20 0.51
MAPK10 P53779 3/20 0.51
MAPK9 P45984 2/20 0.51
GCGR P47871 3/20 0.50
GSK3B P49841 2/20 0.48
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
CSNK1A1 P48729 1/20 0.46
PTK6 Q13882 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
BRAF P15056 1/20 0.45
CSNK1E P49674 1/20 0.43

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
SCHEMBL6934304 0.85 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL9646788 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1387734 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6933891 0.82 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL14064490 0.81 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7071770 0.81 XDH (0.61) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6934771 0.80 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6932744 0.77 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6934609 0.77 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL9648774 0.73 KDM4E (0.70) MAPK14MAPK13MAPK12MAPK11CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed