SCHEMBL5296159

SCHEMBL5296159

Cc1c(N)cccc1Nc1ccc2c(c1)CC(C)(C)C2=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
P2RY12 Q9H244 1/20 0.37

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
SCHEMBL5285564 0.83 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5286949 0.82 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3063392 0.80 MAPK14 (0.50) MAPK14
SCHEMBL3051840 0.80 TSHR (0.37) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3051914 0.79 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5293741 0.78 MAPK14 (0.58) MAPK14
SCHEMBL5289299 0.77 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27706509 0.74 MAPK14 (0.34) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5281275 0.74 BUB1 (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5288032 0.72 MAPK14 (0.56) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed