SCHEMBL4583381

SCHEMBL4583381

CC(C)(C)OC(=O)NCC(Cc1ccccc1)C(=O)Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)c(-c2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.41
SCN9A Q15858 4/20 0.36
CYP3A4 P08684 3/20 0.36
CA2 P00918 2/20 0.35
BCL2 P10415 1/20 0.35
PDPK1 O15530 1/20 0.34
CCNB2 O95067 1/20 0.34
PRKCB P05771 1/20 0.34
CDK1 P06493 1/20 0.34
LYN P07948 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 1/20 0.34
CCNA1 P78396 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
HTR6 P50406 3/20 0.33
CA9 Q16790 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL8233291 0.93 PTPRB (0.37) PTPRBSCN9ACYP3A4CA2BCL2
SCHEMBL8233323 0.87 HTR6 (0.39) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL8240525 0.83 SCN9A (0.36) PTPRBSCN9ACYP3A4PDPK1CCNB2
SCHEMBL8234181 0.83 PDPK1 (0.33) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL8241863 0.80 ELANE (0.38) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL4584006 0.79 HTR6 (0.41) CDK2HTR6
SCHEMBL8233595 0.77 RORC (0.39) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL8240354 0.77 AKT1 (0.40) SCN9APDPK1CCNB2PRKCBCDK1
SCHEMBL8240222 0.73 RORC (0.42) HTR6
SCHEMBL13307055 0.71 HTR6 (0.37) SCN9ACYP3A4CA2PDPK1CCNB2

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