SCHEMBL6473585

SCHEMBL6473585

CCOC(=O)c1cnc(Cc2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL6471998 0.91 MAPK14 (0.43) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6471283 0.90 PDE3B (0.37) MAPK14PDE3BPDE3AGABRPGABRD
SCHEMBL6471970 0.89 MAPK14 (0.44) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6472398 0.88 MAPK14 (0.43) MAPK14PTGER1
SCHEMBL6471447 0.87 MAPK14 (0.43) MAPK14
SCHEMBL6474519 0.86 MAPK14 (0.46) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474965 0.85 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471472 0.85 MAPK14 (0.43) MAPK14
SCHEMBL6472626 0.85 MAPK14 (0.40) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471303 0.85 MAPK14 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed