SCHEMBL4728802

SCHEMBL4728802

COC(=O)c1ccc(NC(=S)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1.COc1cccc(NC(=S)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1.N#Cc1cccc(NC(=S)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4912166 0.94 PDGFRB (0.50) PDGFRBKDM4EMAPTMAPK1
SCHEMBL4582316 0.87 GAA (0.53) KDM4EMAPTMAPK1
SCHEMBL4583189 0.87 ADRB2 (0.47)
SCHEMBL4583394 0.87 MEN1 (0.53) KDM4EMAPTMAPK1
SCHEMBL4728602 0.86 PAK1 (0.44) PDGFRB
SCHEMBL4581838 0.84 KDM4E (0.49) KDM4EMAPTMAPK1
SCHEMBL4583162 0.81 ADRB2 (0.49)
SCHEMBL4583297 0.81 GAA (0.61) PDGFRB
SCHEMBL4582512 0.81 MEN1 (0.53) PDGFRB
SCHEMBL4583852 0.81 PDGFRB (0.49) PDGFRB

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-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed