SCHEMBL4583070

SCHEMBL4583070

CCOc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.60
MAPK11 Q15759 6/20 0.59
MAPK13 O15264 5/20 0.59
MAPK9 P45984 5/20 0.59
MAPK12 P53778 5/20 0.59
RAF1 P04049 3/20 0.59
CSNK1A1 P48729 3/20 0.48
CSNK1D P48730 3/20 0.48
RPS6KA3 P51812 2/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
HSPB1 P04792 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCA P17252 1/20 0.48
PRKACA P17612 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
BRDT Q58F21 3/20 0.44
BRD4 O60885 2/20 0.44

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
SCHEMBL4585684 0.90 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584295 0.87 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584672 0.87 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584970 0.86 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL7805484 0.85 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4585317 0.85 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4586526 0.84 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL8112330 0.84 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584282 0.84 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584976 0.83 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK9MAPK12

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 14 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-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