SCHEMBL4770425

SCHEMBL4770425

COC(=O)c1sc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)cc1NC(=O)OC(C)(C)C.COC(=O)c1sc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1N

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL4774819 0.87 KDM4E (0.38) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4174776 0.84 KDM4E (0.42) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4769679 0.83 KDM4E (0.36) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4174770 0.82 RAF1 (0.41) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4176375 0.79 KDM4E (0.42) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4769671 0.78 RAF1 (0.38) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4176381 0.77 KDM4E (0.44) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL14155908 0.69 HDAC2 (0.44)
SCHEMBL13906519 0.69 L3MBTL1 (0.38) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4772471 0.69 KDM4E (0.35) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed