SCHEMBL4585408

SCHEMBL4585408

Cc1ccc(Oc2cc(-c3[nH]c(C4CCNCC4)nc3-c3ccc(F)cc3)ccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.60
MAPK13 O15264 5/20 0.60
MAPK12 P53778 5/20 0.60
MAPK11 Q15759 5/20 0.60
RAF1 P04049 3/20 0.60
MAPK9 P45984 3/20 0.60
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
RPS6KA3 P51812 1/20 0.49
BRD4 O60885 2/20 0.47
BRDT Q58F21 2/20 0.47
KIT P10721 5/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TGFBR1 P36897 1/20 0.41
GCGR P47871 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL4583969 0.95 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584136 0.93 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584604 0.91 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585131 0.91 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4586963 0.88 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584991 0.86 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4583050 0.84 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7805484 0.83 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584672 0.78 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4024638 0.76 MAPK11 (1.00) 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 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