SCHEMBL4584583

SCHEMBL4584583

Clc1cccc(-c2nc(CCCN3CCOCC3)[nH]c2-c2ccncc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.59
MAPK13 O15264 8/20 0.59
MAPK12 P53778 8/20 0.59
MAPK11 Q15759 8/20 0.59
RAF1 P04049 2/20 0.50
BRAF P15056 1/20 0.47
ALOX5 P09917 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
AVPR1B P47901 1/20 0.42
SLC2A1 P11166 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL4586325 0.87 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4586656 0.86 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584568 0.86 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL8860384 0.84 BRAF (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585385 0.82 ALOX5 (0.62) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585778 0.80 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585076 0.80 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585395 0.79 ALOX5 (0.61) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL8860156 0.76 BRAF (0.41) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585066 0.75 ALOX5 (0.64) 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 11 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-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
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