SCHEMBL4584318

SCHEMBL4584318

CC(C)(C)c1cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)sc1N(CC(CN1C(=O)c2ccccc2C1=O)c1ccccc1)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8242555 0.82 CCR5 (0.31)
SCHEMBL4581928 0.75 CYP2C19 (0.38) PIK3C3CYP2C19
SCHEMBL4592801 0.72 AKT1 (0.33) PIK3C3CYP2C19
SCHEMBL4633196 0.67 CYP2C19 (0.46) PIK3C3CYP2C19
SCHEMBL4583522 0.65 AKT1 (0.41) PIK3C3CYP2C19
SCHEMBL8243099 0.65 AKT1 (0.47)
SCHEMBL4592678 0.65 AKT1 (0.46) PIK3C3CYP2C19
SCHEMBL8242925 0.65 PIK3C3 (0.42) PIK3C3CYP2C19
SCHEMBL12346679 0.64 L3MBTL1 (0.40) PIK3C3CYP2C19
SCHEMBL4592495 0.64 AKT1 (0.46) PIK3C3CYP2C19

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