SCHEMBL4585684

SCHEMBL4585684

COc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.61
MAPK11 Q15759 7/20 0.61
MAPK13 O15264 6/20 0.61
MAPK9 P45984 6/20 0.61
MAPK12 P53778 6/20 0.61
RAF1 P04049 4/20 0.61
CSNK1A1 P48729 4/20 0.59
CSNK1D P48730 4/20 0.59
PRKD3 O94806 2/20 0.59
MAP4K4 O95819 2/20 0.59
PRKCA P17252 2/20 0.59
MINK1 Q8N4C8 2/20 0.59
MAP4K5 Q9Y4K4 2/20 0.59
HSPB1 P04792 1/20 0.59
PRKCB P05771 1/20 0.59
PRKACA P17612 1/20 0.59
RPS6KA3 P51812 2/20 0.49
BRDT Q58F21 2/20 0.49
KDM4E B2RXH2 1/20 0.48
EGFR P00533 1/20 0.48

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
SCHEMBL8113515 0.94 CSNK1D (0.56) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL8108392 0.92 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL8108276 0.92 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL8108398 0.91 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL8099919 0.91 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4585317 0.90 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4583070 0.90 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584282 0.90 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584295 0.89 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584672 0.89 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK9MAPK12

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337255-A4 USE OF P38 INHIBITORS FOR THE TREATMENT OF INFLAMMATION-ENHANCED COUGH SMITHKLINE BEECHAM CORP (US) 2006-01-25 EP claimed
EP-1223924-A4 USE OF CSAIDS IN RHINOVIRUS INFECTION SMITHKLINE BEECHAM CORP (US) 2004-07-14 EP claimed
EP-1337255-A2 USE OF P38 INHIBITORS FOR THE TREATMENT OF INFLAMMATION-ENHANCED COUGH SmithKline Beecham Corporation (US) 2003-08-27 EP claimed
EP-1337250-A2 USE OF P38 INHIBITORS FOR THE TREATMENT OF SMOKE INHALATION SmithKline Beecham Corporation (US) 2003-08-27 EP claimed
JP-2003516314-A 2003-05-13 JP claimed
WO-2002060869-A2 USE OF P38 INHIBITORS FOR THE TREATMENT OF INFLAMMATION-ENHANCED COUGH SMITHKLINE BEECHAM CORPORATION (US) 2002-08-08 WO claimed
EP-1223924-A2 USE OF CSAIDS IN RHINOVIRUS INFECTION SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2002032862-A2 USE OF P38 INHIBITORS FOR THE TREATMENT OF SMOKE INHALATION SMITHKLINE BEECHAM CORPORATION (US) 2002-04-25 WO claimed
WO-2001019322-A2 USE OF CSAIDS IN RHINOVIRUS INFECTION SMITHKLINE BEECHAM CORPORATION (US) 2001-03-22 WO claimed
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
EP-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed
EP-1337250-A2 USE OF P38 INHIBITORS FOR THE TREATMENT OF SMOKE INHALATION SmithKline Beecham Corporation (US) 2003-08-27 EP disclosed
EP-1223924-A2 USE OF CSAIDS IN RHINOVIRUS INFECTION SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2002032862-A2 USE OF P38 INHIBITORS FOR THE TREATMENT OF SMOKE INHALATION SMITHKLINE BEECHAM CORPORATION (US) 2002-04-25 WO disclosed
WO-2001019322-A2 USE OF CSAIDS IN RHINOVIRUS INFECTION SMITHKLINE BEECHAM CORPORATION (US) 2001-03-22 WO disclosed