SCHEMBL6471970

SCHEMBL6471970

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.44
ROCK2 O75116 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
STRADA Q7RTN6 1/20 0.42
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PTGER1 P34995 2/20 0.38
P2RX7 Q99572 1/20 0.36

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
SCHEMBL6474519 0.92 MAPK14 (0.46) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471998 0.91 MAPK14 (0.43) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474965 0.91 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472626 0.90 MAPK14 (0.40) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473585 0.89 MAPK14 (0.41) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472398 0.89 MAPK14 (0.43) MAPK14PTGER1
SCHEMBL4389818 0.88 MAPK14 (0.43) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474212 0.88 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471522 0.87 MAPK14 (0.42) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472890 0.86 MAPK14 (0.42) MAPK14ROCK2MAPK12MAPK11STRADA

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