SCHEMBL4583987

SCHEMBL4583987

CC(C)Nc1nccc(-c2[nH]c(C3CCN(C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.53
MAPK14 Q16539 7/20 0.53
MAPK13 O15264 5/20 0.53
MAPK12 P53778 5/20 0.53
MAPK11 Q15759 5/20 0.53
RAF1 P04049 3/20 0.49
MAPK9 P45984 3/20 0.49
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
RPS6KA3 P51812 1/20 0.45

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
SCHEMBL4587310 0.87 MAPK14 (0.61) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6664250 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4585639 0.84 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4587118 0.84 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1387620 0.83 MAPK14 (0.58) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL5770576 0.83 MAPK13 (0.52) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL5771507 0.82 MAPK13 (0.78) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4585443 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584430 0.81 MAPK14 (0.51) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL5771373 0.80 MAPK13 (0.58) BRAFMAPK14MAPK13MAPK12MAPK11

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 12 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-2005030091-A2 STENTS AND INTRA-LUMINAL PROSTHESES CONTAINING MAP KINASE INHIBITORS SCIOS INC. (US) 2005-04-07 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