SCHEMBL4583261

SCHEMBL4583261

O=S(=O)(c1ccccc1)n1c(Cl)c(I)c2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.51
CYP2C19 P33261 1/20 0.46
MET P08581 1/20 0.43
PKM P14618 1/20 0.40
HTR6 P50406 2/20 0.40
SRC P12931 1/20 0.39
LATS1 O95835 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39

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
SCHEMBL4583577 0.83 PTGDR2 (0.64) PTGDR2CYP2C19METHTR6LATS1
SCHEMBL20005127 0.78 PTGDR2 (0.57) PTGDR2CYP2C19METHTR6SRC
SCHEMBL5136369 0.78 PTGDR2 (0.51) PTGDR2CYP2C19METHTR6SRC
SCHEMBL1773016 0.74 PTGDR2 (0.67) PTGDR2CYP2C19HTR6LATS1
SCHEMBL5661951 0.74 ENPP3 (0.44) PTGDR2CYP2C19METPKMSRC
SCHEMBL30751165 0.74 ENPP3 (0.44) PTGDR2CYP2C19METPKMSRC
SCHEMBL1267767 0.72 CYP2C19 (0.56) PTGDR2CYP2C19METPKMHTR6
SCHEMBL15635129 0.72 PTGDR2 (0.64) PTGDR2CYP2C19HTR6LATS1
SCHEMBL31160484 0.72 PTGDR2 (0.46) PTGDR2CYP2C19LATS1
SCHEMBL1773438 0.71 CYP2C19 (0.55) PTGDR2CYP2C19METPKMSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed