SCHEMBL4774795

SCHEMBL4774795

COC(=O)c1sc(C=O)cc1NC(=O)OC(C)(C)C.COC(OC)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.36
MAPK14 Q16539 7/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL4164656 0.90 RAF1 (0.41) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL19687653 0.79 BRD9 (0.37)
SCHEMBL667203 0.72 RAF1 (0.61) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14434334 0.72 RAF1 (0.45) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL101455 0.72 RAF1 (0.42) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4781956 0.72 RAF1 (0.42) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4168848 0.71 MAPK14 (0.40) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4169623 0.70 RAF1 (0.44) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL19838123 0.69 RAF1 (0.42) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4769749 0.69 RAF1 (0.43) 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-1987042-A2 NOVEL AMINO ALCOHOL-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