SCHEMBL7216592

SCHEMBL7216592

Nc1ccc(-c2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
MAPK14 Q16539 16/20 0.51
MAPK13 O15264 10/20 0.51
MAPK12 P53778 10/20 0.51
MAPK11 Q15759 10/20 0.51
GCGR P47871 2/20 0.51
ALOX5 P09917 1/20 0.51
ADORA2A P29274 1/20 0.50
MAPK10 P53779 2/20 0.44
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL7210423 0.93 ADORA1 (0.51) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7211815 0.87 MEN1 (0.54) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210528 0.87 ADORA1 (0.61) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7222483 0.82 ADORA1 (0.75) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210550 0.82 ADORA1 (0.75) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210257 0.82 ADORA1 (0.51) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7216197 0.80 MAPK14 (0.46) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210183 0.78 ADORA1 (0.50) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210262 0.77 NPC1 (0.51) ADORA1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210043 0.77 MAPK14 (0.45) ADORA1MAPK14MAPK13MAPK12MAPK11

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 5 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-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed