SCHEMBL14459367

SCHEMBL14459367

Cc1nc2c(C)c(NC(=O)Nc3ccc(C#CCOC4CCCCO4)c4ccccc34)cc(C(C)(C)C)c2o1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.33
GRM5 P41594 1/20 0.32
RORC P51449 2/20 0.32
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAPK14 Q16539 1/20 0.30

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
SCHEMBL5619786 0.88 MAPK14 (0.32) GRM5MAPK14
SCHEMBL5619598 0.86 GSK3A (0.41) GCKGRM5MAPK14
SCHEMBL6165074 0.78 MAPK14 (0.44) GCKGRM5EP300CREBBPMAPK14
SCHEMBL5618849 0.78 MAPK14 (0.38) GCKGRM5RORCEP300CREBBP
SCHEMBL7707024 0.77 MAPK14 (0.39) MAPK14
SCHEMBL14459299 0.77 GCK (0.37) GCKGRM5RORCEP300CREBBP
SCHEMBL297067 0.76 MAPK14 (0.55) MAPK14
SCHEMBL6163971 0.75 MAPK14 (0.51) GCKGRM5RORCEP300CREBBP
SCHEMBL6164680 0.75 MAPK14 (0.43) GCKEP300CREBBPMAPK14
SCHEMBL6574700 0.75 MAPK14 (0.36) GCKMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed