SCHEMBL5739360

SCHEMBL5739360

O=c1ccc2c(-c3ccc(F)cc3F)nc(N(CO)CCO)nc2n1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.41
MAPK13 O15264 9/20 0.41
MAPK12 P53778 9/20 0.41
MAPK11 Q15759 9/20 0.41
KCNH2 Q12809 1/20 0.41
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5737454 0.93 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5738681 0.90 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5260056 0.90 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5740166 0.89 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4289881 0.88 MAPK11 (0.34) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5256916 0.86 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4056370 0.86 MAPK11 (0.34) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5256394 0.85 PRKD3 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5257500 0.83 MAPK11 (0.35) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5738335 0.82 MAPK13 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499320-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP claimed
EP-1499320-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2005-01-26 EP claimed
WO-2003088972-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-30 WO claimed
EP-1499320-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP disclosed
EP-1499320-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2005-01-26 EP disclosed
WO-2003088972-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-30 WO disclosed