SCHEMBL4582644

SCHEMBL4582644

NCC(CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 1.00
AKT2 P31751 3/20 0.46
AKT3 Q9Y243 3/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44
FLT1 P17948 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44
KDR P35968 1/20 0.44
MAP2K2 P36507 1/20 0.44

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
SCHEMBL4592533 0.83 AKT1 (0.73) AKT1AKT2AKT3
SCHEMBL4582878 0.79 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4584377 0.75 AKT1 (0.86) AKT1AKT2AKT3
SCHEMBL4584197 0.75 AKT1 (1.00) AKT1AKT2AKT3IKBKBCHUK
SCHEMBL4585345 0.75 AKT1 (0.70) AKT1AKT2AKT3ROCK1
SCHEMBL4585624 0.73 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL21067542 0.73 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL29644967 0.73 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4583126 0.73 AKT1 (0.68) AKT1AKT2AKT3ROCK1
SCHEMBL8233640 0.73 AKT1 (0.73) AKT1AKT2AKT3ROCK1

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