SCHEMBL7211818

SCHEMBL7211818

CC(=O)Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.52
ADORA1 P30542 4/20 0.50
ADORA2B P29275 3/20 0.50
ADORA2A P29274 3/20 0.50
ADORA3 P0DMS8 1/20 0.49
PTGS2 P35354 2/20 0.47
MAPK13 O15264 7/20 0.46
MAPK12 P53778 7/20 0.46
MAPK11 Q15759 7/20 0.46
MAPK10 P53779 1/20 0.44
GSK3B P49841 2/20 0.44
JAK2 O60674 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
TYK2 P29597 1/20 0.44
SYK P43405 1/20 0.44
GSK3A P49840 1/20 0.44
CDK5 Q00535 1/20 0.44
PRKCQ Q04759 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL7234155 1.00 MAPK14 (0.52) MAPK14ADORA1ADORA2BADORA2AADORA3
SCHEMBL7216477 0.87 ADORA1 (0.47) MAPK14ADORA1ADORA2BADORA2APTGS2
SCHEMBL5461691 0.86 ADORA1 (0.69) MAPK14ADORA1ADORA2BADORA2AADORA3
SCHEMBL7216557 0.85 ADORA1 (0.57) MAPK14ADORA1ADORA2BADORA2AADORA3
SCHEMBL7215140 0.84 ADORA1 (0.46) MAPK14ADORA1ADORA2BADORA2APTGS2
SCHEMBL7215201 0.83 CYP1A2 (0.55) MAPK14ADORA1ADORA2BADORA2APTGS2
SCHEMBL27527719 0.83 ADORA1 (0.50) MAPK14ADORA1ADORA2BADORA2APTGS2
SCHEMBL7210170 0.81 MAPK14 (0.58) MAPK14ADORA1ADORA2APTGS2MAPK13
SCHEMBL31061144 0.80 ADORA1 (0.55) MAPK14ADORA1ADORA2BADORA2AADORA3
SCHEMBL7215273 0.80 PTGS2 (0.53) MAPK14ADORA1ADORA2APTGS2MAPK13

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-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
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed