SCHEMBL4582702

SCHEMBL4582702

COC(=O)c1sc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c(Br)c1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
BCHE P06276 3/20 0.35
PDPK1 O15530 1/20 0.33
CCNB2 O95067 1/20 0.33
PRKCB P05771 1/20 0.33
CDK1 P06493 1/20 0.33
LYN P07948 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA3 P51812 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
SCN9A Q15858 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
SCHEMBL8243321 0.92 HTR6 (0.37) HTR6PIK3C3CA12CA1CA2
SCHEMBL8242841 0.87 PIK3C3 (0.33) HTR6PIK3C3BCHESCN9AMEN1
SCHEMBL8242820 0.85 PIK3C3 (0.40) HTR6PIK3C3MEN1POLBKMT2A
SCHEMBL8242827 0.84 HTR6 (0.42) HTR6PIK3C3BCHEPDPK1CCNB2
SCHEMBL4612732 0.81 PIK3C3 (0.42) HTR6PIK3C3MEN1KMT2A
SCHEMBL4584711 0.81 PIK3C3 (0.40) HTR6PIK3C3MEN1KMT2A
SCHEMBL4582484 0.78 CYP2C19 (0.39) HTR6PIK3C3MEN1POLBKMT2A
SCHEMBL4582735 0.74 CYP2C19 (0.41) HTR6PIK3C3
SCHEMBL4582645 0.73 CYP2C19 (0.42) HTR6PIK3C3
SCHEMBL4582184 0.72 AKT1 (0.44)

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