SCHEMBL4585004

SCHEMBL4585004

O=C1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OCCO)n3)[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.44
MAPK13 O15264 9/20 0.44
MAPK12 P53778 9/20 0.44
MAPK11 Q15759 9/20 0.44
RAF1 P04049 4/20 0.44
MAPK9 P45984 4/20 0.44
CSNK1A1 P48729 2/20 0.43
CSNK1D P48730 2/20 0.43
RPS6KA3 P51812 1/20 0.43
KDM4E B2RXH2 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 1/20 0.38
LCK P06239 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRKCA P17252 1/20 0.38
CYP2C19 P33261 1/20 0.38
FRK P42685 1/20 0.38

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
SCHEMBL4585719 0.88 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585062 0.87 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4583203 0.85 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584826 0.84 CSNK1D (0.50) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585063 0.82 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771091 0.80 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4583956 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8113515 0.79 CSNK1D (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771226 0.79 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769779 0.79 MAPK14 (0.48) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883402-A4 NOVEL CYCLOALKYL SUBSTITUDED IMIDAZOLES SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP claimed
EP-0883402-A1 NOVEL CYCLOALKYL SUBSTITUDED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1998-12-16 EP claimed
WO-1997025047-A1 NOVEL CYCLOALKYL SUBSTITUDED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO claimed
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-2005032551-A1 TREATMENT OF CARDIOVASCULAR DISEASE WITH INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-04-14 WO disclosed
WO-2005030091-A2 STENTS AND INTRA-LUMINAL PROSTHESES CONTAINING MAP KINASE INHIBITORS SCIOS INC. (US) 2005-04-07 WO 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
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
EP-0889888-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP 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