SCHEMBL4584430

SCHEMBL4584430

CN1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4cccc(Br)c4)n3)[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.51
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
KCNH2 Q12809 2/20 0.48
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
RPS6KA3 P51812 1/20 0.45
EGFR P00533 2/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
RAF1 P04049 1/20 0.43
BRAF P15056 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
SCHEMBL4587310 0.81 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4583987 0.81 BRAF (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL4587118 0.80 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7482928 0.80 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL6664250 0.79 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8112671 0.79 PIK3CG (0.61) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4593693 0.79 MAPK14 (0.81) MAPK14
SCHEMBL8118162 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7486651 0.79 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL4585639 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11KCNH2

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 12 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-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