SCHEMBL4587310

SCHEMBL4587310

CCNc1nccc(-c2[nH]c(C3CCN(C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.61
MAPK13 O15264 5/20 0.59
MAPK12 P53778 5/20 0.59
MAPK11 Q15759 5/20 0.59
BRAF P15056 2/20 0.53

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
SCHEMBL4587118 0.89 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4583987 0.87 BRAF (0.53) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL6664250 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4584963 0.85 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8118162 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585639 0.84 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1387620 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585443 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4584430 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4584405 0.79 CSNK1A1 (0.54) MAPK14MAPK13MAPK12MAPK11BRAF

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 6 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-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
WO-2005032551-A1 TREATMENT OF CARDIOVASCULAR DISEASE WITH INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-04-14 WO 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-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed