SCHEMBL8239659

SCHEMBL8239659

NCC(C(=O)Nc1cc(-c2ccnc3[nH]ccc23)cs1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.70
AKT2 P31751 1/20 0.49
AKT3 Q9Y243 1/20 0.49
CIT O14578 5/20 0.48
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL8234017 0.93 AKT1 (0.61) AKT1AKT2AKT3CITIKBKB
SCHEMBL8243034 0.87 AKT1 (0.59) AKT1CITIKBKBCHUKDAPK3
SCHEMBL4582789 0.87 AKT1 (0.64) AKT1MAP4K4CDK8CDK9ROCK1
SCHEMBL8244287 0.85 AKT1 (0.57) AKT1AKT2AKT3CITROCK1
SCHEMBL8239722 0.83 AKT1 (0.70) AKT1AKT2AKT3CITROCK1
SCHEMBL8239716 0.83 CIT (0.71) AKT1CIT
SCHEMBL4582878 0.83 AKT1 (1.00) AKT1AKT2AKT3CIT
SCHEMBL8240614 0.81 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL8241818 0.80 AKT1 (0.60) AKT1MAP4K4CDK8CDK9JAK3
SCHEMBL4583238 0.78 AKT1 (1.00) AKT1AKT2AKT3

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