SCHEMBL4770433

SCHEMBL4770433

COC(=O)c1sc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1N.COC(=O)c1sc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.45
MAPK14 Q16539 8/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4258108 0.94 RAF1 (0.49) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4265191 0.88 L3MBTL1 (0.43) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL667203 0.73 RAF1 (0.61) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4256267 0.70 L3MBTL1 (0.38) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4774819 0.69 KDM4E (0.38) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14434334 0.68 RAF1 (0.45) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4781956 0.66 RAF1 (0.42) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL101455 0.66 RAF1 (0.42) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3244327 0.65 RAF1 (0.74) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL173108 0.65 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed