SCHEMBL4584925

SCHEMBL4584925

CSc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.61
MAPK13 O15264 7/20 0.61
MAPK9 P45984 7/20 0.61
MAPK12 P53778 7/20 0.61
MAPK11 Q15759 7/20 0.61
RAF1 P04049 5/20 0.61
CSNK1D P48730 4/20 0.59
JAK3 P52333 1/20 0.59
CSNK1A1 P48729 2/20 0.49
RPS6KA3 P51812 2/20 0.49
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CSNK1E P49674 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43

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
SCHEMBL6950701 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4585060 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4583956 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4585443 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4583940 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL1387444 0.84 MAPK14 (0.67) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4585684 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL7988334 0.83 CSNK1A1 (0.69) MAPK14MAPK13MAPK9MAPK12MAPK11
Hydrochloric Acid SCHEMBL16415792 0.83 MAPK14 (0.66) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4583070 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK9MAPK12MAPK11

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-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-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-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
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 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