SCHEMBL4586963

SCHEMBL4586963

COc1cc(-c2[nH]c(C3CCNCC3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.67
MAPK13 O15264 4/20 0.67
MAPK12 P53778 4/20 0.67
MAPK11 Q15759 4/20 0.67
RAF1 P04049 3/20 0.67
MAPK9 P45984 3/20 0.67
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
RPS6KA3 P51812 1/20 0.54
KIT P10721 9/20 0.54
TLR9 Q9NR96 2/20 0.48
TLR8 Q9NR97 2/20 0.48
TLR7 Q9NYK1 2/20 0.48
CDK1 P06493 1/20 0.48
CDK9 P50750 1/20 0.48
BRAF P15056 1/20 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
SCHEMBL4584136 0.90 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4583050 0.89 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4583969 0.89 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585408 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585131 0.86 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584991 0.86 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584604 0.84 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585684 0.81 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4587083 0.81 MAPK11 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4024638 0.81 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 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