SCHEMBL4583940

SCHEMBL4583940

Oc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.65
MAPK11 Q15759 9/20 0.65
MAPK13 O15264 8/20 0.65
MAPK9 P45984 8/20 0.65
MAPK12 P53778 8/20 0.65
RAF1 P04049 5/20 0.65
CSNK1D P48730 4/20 0.52
CSNK1A1 P48729 3/20 0.52
RPS6KA3 P51812 2/20 0.52
RIPK2 O43353 1/20 0.44
DYRK3 O43781 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
LCK P06239 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8099899 0.89 CSNK1D (0.55) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL1387444 0.89 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK9MAPK12
Hydrochloric Acid SCHEMBL16415792 0.88 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584826 0.87 CSNK1D (0.50) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4585684 0.84 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584925 0.84 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL7988334 0.84 CSNK1A1 (0.69) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4583854 0.83 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584672 0.83 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584665 0.82 MAPK14 (0.63) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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