SCHEMBL4584976

SCHEMBL4584976

Fc1ccc(-c2nc(C3CCNCC3)[nH]c2-c2ccnc(Oc3ccccc3F)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.62
MAPK11 Q15759 4/20 0.56
MAPK13 O15264 2/20 0.56
MAPK9 P45984 2/20 0.56
MAPK12 P53778 2/20 0.56
RAF1 P04049 1/20 0.56
BRDT Q58F21 1/20 0.51
BRD4 O60885 1/20 0.48
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46

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
SCHEMBL4584665 0.91 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584282 0.91 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4586526 0.90 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584672 0.88 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4585291 0.88 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584142 0.88 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4585684 0.85 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL8112330 0.85 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584294 0.85 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4584919 0.85 MAPK14 (0.63) 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 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-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