SCHEMBL1387455

SCHEMBL1387455

O=C(O)CCn1cnc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.86
MAPK13 O15264 17/20 0.86
MAPK12 P53778 17/20 0.86
MAPK11 Q15759 17/20 0.86
MAP4K4 O95819 1/20 0.70
MAPK9 P45984 1/20 0.70
CSNK1A1 P48729 1/20 0.70
CSNK1D P48730 1/20 0.70
CDC42BPA Q5VT25 1/20 0.70
AURKB Q96GD4 1/20 0.70
MAP4K5 Q9Y4K4 1/20 0.70
MAPK10 P53779 1/20 0.64

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
SCHEMBL23411353 0.87 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAP4K4
Trifluoroacetic Acid SCHEMBL29960354 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4918462 0.81 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4912942 0.81 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL27338804 0.80 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4917040 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL27311897 0.80 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL1127929 0.78 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL1128151 0.78 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4915373 0.78 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09500137-A 1997-01-07 JP claimed
EP-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP claimed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP claimed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 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
EP-1539121-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2005-06-15 EP disclosed
WO-2004019873-A9 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2004-06-24 WO disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
EP-0889888-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP 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
EP-0889888-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP disclosed
WO-1997035856-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed
EP-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP disclosed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed