SCHEMBL5622943

SCHEMBL5622943

COCCN(C)c1nccc(-c2c(Oc3ccccc3C)c(=O)n3n2CCC3)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 17/20 0.41
MAPK12 P53778 17/20 0.41
MAPK11 Q15759 17/20 0.41
MAPK14 Q16539 17/20 0.41
DYRK1A Q13627 1/20 0.36
ACACB O00763 1/20 0.33

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
SCHEMBL5622448 0.83 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14
SCHEMBL8273809 0.80 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3890697 0.79 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3890691 0.79 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3877389 0.78 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3880327 0.78 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5623831 0.76 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14DYRK1A
SCHEMBL5622451 0.74 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3884933 0.73 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14DYRK1A
SCHEMBL3884925 0.73 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14DYRK1A

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
JP-2007510739-A 2007-04-26 JP claimed
EP-1682551-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2006-07-26 EP claimed
WO-2005047287-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 WO claimed