SCHEMBL4584568

SCHEMBL4584568

CSc1cccc(-c2nc(CCCN3CCOCC3)[nH]c2-c2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.61
MAPK13 O15264 7/20 0.61
MAPK12 P53778 7/20 0.61
MAPK11 Q15759 7/20 0.61
BRAF P15056 2/20 0.47
ALOX5 P09917 5/20 0.47
SOAT1 P35610 1/20 0.41
EGFR P00533 1/20 0.39
LRRK2 Q5S007 1/20 0.39
GCGR P47871 1/20 0.37

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
SCHEMBL4584583 0.86 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL8860384 0.84 BRAF (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4586656 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4586325 0.81 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585385 0.79 ALOX5 (0.62) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4552211 0.79 ALOX5 (0.67) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585778 0.78 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585076 0.78 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585395 0.77 ALOX5 (0.61) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL8860156 0.76 BRAF (0.41) MAPK14MAPK13MAPK12MAPK11BRAF

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 8 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-2005030091-A2 STENTS AND INTRA-LUMINAL PROSTHESES CONTAINING MAP KINASE INHIBITORS SCIOS INC. (US) 2005-04-07 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
US-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 US disclosed