SCHEMBL7216477

SCHEMBL7216477

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 1/20 0.47
PTGS2 P35354 2/20 0.45
MAPK14 Q16539 8/20 0.44
MAPK13 O15264 7/20 0.44
MAPK12 P53778 7/20 0.44
MAPK11 Q15759 7/20 0.44
POLB P06746 1/20 0.43
MAPK10 P53779 1/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
JAK2 O60674 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42
TYK2 P29597 1/20 0.42
SYK P43405 1/20 0.42
CDK5 Q00535 1/20 0.42
PRKCQ Q04759 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL7211818 0.87 MAPK14 (0.52) ADORA1ADORA2AADORA2BPTGS2MAPK14
SCHEMBL7234155 0.87 MAPK14 (0.52) ADORA1ADORA2AADORA2BPTGS2MAPK14
SCHEMBL7216557 0.82 ADORA1 (0.57) ADORA1ADORA2AADORA2BPTGS2MAPK14
SCHEMBL7215140 0.81 ADORA1 (0.46) ADORA1ADORA2AADORA2BPTGS2MAPK14
SCHEMBL7215201 0.81 CYP1A2 (0.55) ADORA1ADORA2AADORA2BPTGS2MAPK14
SCHEMBL27527719 0.80 ADORA1 (0.50) ADORA1ADORA2AADORA2BPTGS2MAPK14
SCHEMBL7210170 0.78 MAPK14 (0.58) ADORA1ADORA2APTGS2MAPK14MAPK13
SCHEMBL27538130 0.78 MAPK14 (0.46) ADORA1ADORA2AADORA2BPTGS2MAPK14
SCHEMBL7215273 0.77 PTGS2 (0.53) ADORA1ADORA2APTGS2MAPK14MAPK13
SCHEMBL7211879 0.76 PTGS2 (0.60) ADORA1PTGS2MAPK14MAPK13MAPK12

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-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