SCHEMBL4583613

SCHEMBL4583613

NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2ccnc3[nH]ccc23)o1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.67
AKT2 P31751 12/20 0.67
AKT3 Q9Y243 11/20 0.67
EGFR P00533 1/20 0.48
PIM1 P11309 1/20 0.48
PRKCA P17252 1/20 0.48
SYK P43405 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
GSK3B P49841 1/20 0.48
ROCK1 Q13464 1/20 0.48
MAPK14 Q16539 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL8242957 0.86 AKT1 (0.64) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4584714 0.86 AKT1 (0.64) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8242380 0.85 AKT1 (0.73) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4581831 0.84 AKT1 (0.69) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8233520 0.83 AKT1 (0.74) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4583800 0.81 AKT1 (0.64) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4582818 0.80 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8240352 0.78 AKT1 (0.66) AKT1AKT2AKT3
SCHEMBL8240473 0.78 AKT1 (0.72) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8240619 0.77 AKT1 (0.69) AKT1AKT2AKT3EGFRPIM1

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 3 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
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed