SCHEMBL4584452

SCHEMBL4584452

O=C(O)Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cs1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.44
RORC P51449 8/20 0.42
CYP2C19 P33261 1/20 0.42
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL4476225 0.93 L3MBTL1 (0.45) RORCPTGDR2
SCHEMBL8240222 0.88 RORC (0.42) HTR6RORCCYP2C19PIK3C3
SCHEMBL4583237 0.86 PIK3C3 (0.45) HTR6RORCCYP2C19PIK3C3
SCHEMBL13888089 0.83 RORC (0.41) RORCPTGDR2
SCHEMBL3355302 0.83 HTR6 (0.45) HTR6CYP2C19CCNE1CDK2PTGDR2
SCHEMBL4584006 0.82 HTR6 (0.41) HTR6CYP2C19CCNE1CDK2PTGDR2
SCHEMBL3355309 0.80 HTR6 (0.46) HTR6CYP2C19CCNE1CDK2PTGDR2
SCHEMBL8233595 0.79 RORC (0.39) HTR6RORCCDK2
SCHEMBL4476147 0.77 ROCK1 (0.55) RORC
SCHEMBL4478038 0.76 L3MBTL1 (0.46) HTR6PTGDR2

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-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