SCHEMBL4592495

SCHEMBL4592495

O=C(O)NCC(NCc1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)s1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.46
CYP2C19 P33261 1/20 0.36
PIK3C3 Q8NEB9 3/20 0.34
KLKB1 P03952 1/20 0.32
PPARG P37231 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HTR6 P50406 3/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8233993 0.76 AKT1 (0.45) AKT1PIK3C3PPARGHTR6
SCHEMBL4633196 0.75 CYP2C19 (0.46) CYP2C19PIK3C3ENPP3ENPP1HTR6
SCHEMBL4592678 0.74 AKT1 (0.46) AKT1CYP2C19PIK3C3KLKB1PPARG
SCHEMBL8243099 0.73 AKT1 (0.47) AKT1PPARGL3MBTL1
SCHEMBL4581928 0.72 CYP2C19 (0.38) AKT1CYP2C19PIK3C3KLKB1ENPP3
SCHEMBL4583522 0.72 AKT1 (0.41) AKT1CYP2C19PIK3C3KLKB1ENPP3
SCHEMBL8233302 0.70 AKT1 (0.63) AKT1
SCHEMBL8242925 0.69 PIK3C3 (0.42) AKT1CYP2C19PIK3C3ENPP3ENPP1
SCHEMBL8240638 0.67 AKT1 (0.51) AKT1PIK3C3
SCHEMBL8241464 0.67 ATM (0.39) AKT1PIK3C3

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