SCHEMBL8233291

SCHEMBL8233291

CC(C)(C)OC(=O)NCC(Cc1ccccc1)C(=O)Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)c(-c2ccoc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.37
SCN9A Q15858 2/20 0.32
CYP3A4 P08684 1/20 0.32
PDPK1 O15530 1/20 0.32
CCNB2 O95067 1/20 0.32
PRKCB P05771 1/20 0.32
CDK1 P06493 1/20 0.32
LYN P07948 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ELANE P08246 1/20 0.32
CA2 P00918 2/20 0.31
PIK3C3 Q8NEB9 2/20 0.31
BCL2 P10415 1/20 0.31
CA9 Q16790 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
SCHEMBL4583381 0.93 PTPRB (0.41) PTPRBSCN9ACYP3A4PDPK1CCNB2
SCHEMBL8240525 0.91 SCN9A (0.36) PTPRBSCN9ACYP3A4PDPK1CCNB2
SCHEMBL8234181 0.90 PDPK1 (0.33) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL8241863 0.88 ELANE (0.38) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL8233323 0.81 HTR6 (0.39) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL4592468 0.76 ELANE (0.36) PDPK1CDK2ELANEHTR6
SCHEMBL8233595 0.73 RORC (0.39) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL8240354 0.73 AKT1 (0.40) SCN9APDPK1CCNB2PRKCBCDK1
SCHEMBL4584006 0.72 HTR6 (0.41) CDK2PIK3C3HTR6
SCHEMBL8240222 0.70 RORC (0.42) PIK3C3HTR6

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-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed