SCHEMBL4585443

SCHEMBL4585443

CSc1nccc(-c2[nH]c(C3CCN(C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.57
CSNK1D P48730 3/20 0.57
JAK3 P52333 1/20 0.57
MAPK11 Q15759 5/20 0.48
MAPK13 O15264 4/20 0.48
MAPK12 P53778 4/20 0.48
CSNK1A1 P48729 1/20 0.47
RPS6KA3 P51812 1/20 0.47
RAF1 P04049 2/20 0.47
MAPK9 P45984 2/20 0.47
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CSNK1E P49674 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 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
SCHEMBL4585060 0.89 MAPK14 (0.60) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL6950701 0.89 MAPK14 (0.60) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL4584925 0.88 MAPK14 (0.61) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL4583956 0.86 MAPK14 (0.57) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL1387620 0.86 MAPK14 (0.58) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL4584641 0.84 BRAF (0.43) MAPK14CSNK1DJAK3
SCHEMBL8549534 0.83 MAPK14 (0.50) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL4583987 0.82 BRAF (0.53) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL4587310 0.82 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5771842 0.81 MAPK14 (0.58) MAPK14CSNK1DJAK3MAPK11MAPK13

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 9 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
US-6214844-B1 ANTIARTHRITIC AGENTS; BONE DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-04-10 US disclosed