SCHEMBL576844

SCHEMBL576844

CC(C)c1csc(-c2[c]nc3ccccc3c2F)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.38
TYK2 P29597 1/20 0.35
CTSK P43235 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31

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
SCHEMBL577313 0.86 CCR4 (0.39) CCR4TYK2CTSKCSNK2A2CSNK2B
SCHEMBL577569 0.82 POLB (0.41) CCR4CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL576843 0.82 CCR4 (0.38) CCR4TYK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL578409 0.81 APLNR (0.37) CCR4TYK2
SCHEMBL577312 0.78 CCR4 (0.39) CCR4TYK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL578025 0.78 TLR7 (0.32)
SCHEMBL577568 0.75 CCR4 (0.36) CCR4TYK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL577238 0.75 CCR4 (0.34) CCR4TYK2
SCHEMBL577279 0.74 CCR4 (0.34) CCR4TYK2
SCHEMBL577645 0.73 CCR4 (0.38) CCR4TYK2CSNK2A2CSNK2BCSNK2A1

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-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed