SCHEMBL4540876

SCHEMBL4540876

Cn1nccc1-c1sc(C(=O)NC(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.43
AKT2 P31751 4/20 0.42
AKT3 Q9Y243 4/20 0.42
HDAC8 Q9BY41 8/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL4542245 0.91 AKT1 (0.39) AKT1HDAC8CTSVCTSLCTSB
SCHEMBL4541166 0.85 AKT1 (0.45) AKT1AKT2AKT3HDAC8CTSV
SCHEMBL4378512 0.83 AKT1 (0.40) AKT1AKT2AKT3
SCHEMBL4539905 0.82 AKT1 (0.41) AKT1HDAC8CTSVCTSLCTSB
SCHEMBL4543920 0.82 HDAC8 (0.36) HDAC8CTSVCTSLCTSBCTSS
SCHEMBL4543909 0.82 HDAC8 (0.39) AKT1HDAC8CTSVCTSLCTSB
SCHEMBL1529471 0.82 AKT1 (0.59) AKT1AKT2AKT3HDAC8CTSV
SCHEMBL4554202 0.82 CTSV (0.42) HDAC8CTSVCTSLCTSBCTSS
SCHEMBL4540224 0.82 HDAC8 (0.38) HDAC8CTSVCTSLCTSBCTSS
SCHEMBL1529378 0.80 AKT1 (0.61) AKT1AKT2AKT3HDAC8CTSV

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-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed