SCHEMBL8240267

SCHEMBL8240267

CC(C)(C)OC(=O)NCC(NC(=O)c1cc(Br)c(Br)s1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.44
SYK P43405 1/20 0.41
CTSS P25774 5/20 0.41
CTSK P43235 4/20 0.41
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
CTSB P07858 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
MAPT P10636 2/20 0.38
MMP12 P39900 2/20 0.38
CTSL P07711 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4A O75164 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8233787 0.85 HDAC3 (0.43) SYKCTSSCTSKCTSBMAPT
SCHEMBL14114831 0.81 AKT1 (0.45) AKT1AKT2AKT3MMP12
SCHEMBL12679599 0.81 AKT1 (0.45) AKT1AKT2AKT3MMP12
SCHEMBL12838327 0.79 SYK (0.41) SYKCTSSCTSKCTSBCTSL
SCHEMBL12679569 0.78 MMP12 (0.38) AKT1SYKCTSSCTSKCTSB
SCHEMBL12679579 0.77 AKT1 (0.38) AKT1SYKCTSSCTSKAKT2
SCHEMBL12679604 0.76 ROCK2 (0.38) AKT1SYKCTSSCTSKAKT2
SCHEMBL6690446 0.76 CTSK (0.48) SYKCTSSCTSKCTSBMAPT
SCHEMBL12679233 0.76 AKT1 (0.40) AKT1SYKCTSSCTSK
SCHEMBL12679232 0.75 SYK (0.38) SYKCTSSCTSKCTSBAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed