SCHEMBL4584852

SCHEMBL4584852

CNc1nccc(-c2[nH]c(CCC#N)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.52
MAPK13 O15264 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
RAF1 P04049 1/20 0.49
MAPK9 P45984 1/20 0.49
EGFR P00533 2/20 0.41
GCGR P47871 1/20 0.40
CSNK1D P48730 1/20 0.40

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
SCHEMBL8112181 0.78 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4584442 0.73 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7988334 0.71 CSNK1A1 (0.69) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5770431 0.70 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771195 0.70 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768031 0.69 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768927 0.69 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771542 0.69 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5770752 0.69 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771787 0.69 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809499-A4 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORP (US) 1998-10-14 EP claimed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP claimed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 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-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
EP-1539121-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2005-06-15 EP disclosed
WO-2005032551-A1 TREATMENT OF CARDIOVASCULAR DISEASE WITH INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-04-14 WO disclosed
WO-2004019873-A9 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2004-06-24 WO disclosed
WO-2004024083-A2 METHODS OF BONE HEALING UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-03-25 WO 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-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed