SCHEMBL4551970

SCHEMBL4551970

CNc1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)cc(Nc4ccccc4)c3OC)c3ccccc23)n1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.81
GSK3A P49840 7/20 0.48
SRC P12931 4/20 0.47
SYK P43405 4/20 0.47
SCARB1 Q8WTV0 2/20 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
SCHEMBL1599748 0.90 MAPK14 (0.79) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL1600941 0.89 MAPK14 (1.00) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL1599651 0.85 MAPK14 (0.73) MAPK14GSK3ASCARB1
SCHEMBL1600084 0.81 MAPK14 (0.64) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL5314960 0.80 MAPK14 (0.65) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL4419926 0.80 MAPK14 (0.83) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL1600569 0.79 MAPK14 (0.64) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL4949605 0.79 MAPK14 (0.67) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL1598842 0.79 MAPK14 (0.81) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL5312427 0.77 MAPK14 (1.00) MAPK14GSK3ASRCSYKSCARB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO disclosed