SCHEMBL4378512

SCHEMBL4378512

CC(C)(C)C(NC(=O)O)C(Cc1ccccc1)NC(=O)c1cc(Br)c(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.40
AKT2 P31751 3/20 0.40
AKT3 Q9Y243 3/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PIN1 Q13526 2/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
PYGL P06737 2/20 0.35
CCR1 P32246 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GSK3B P49841 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL4380031 0.89 AKT1 (0.39) AKT1AKT2AKT3KMT2APIN1
SCHEMBL4373621 0.89 AKT1 (0.39) AKT1AKT2AKT3KMT2APIN1
SCHEMBL4375386 0.84 ACKR3 (0.43) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL4382189 0.84 ACKR3 (0.43) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL4583485 0.83 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL4377324 0.83 PYGL (0.38) KMT2AL3MBTL1PYGL
SCHEMBL4374524 0.83 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL4540876 0.83 AKT1 (0.43) AKT1AKT2AKT3
SCHEMBL4582625 0.83 ALDH1A1 (0.44) AKT1AKT2AKT3KMT2AMEN1
SCHEMBL4584578 0.80 POLB (0.34) AKT1KMT2AMEN1POLBMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed