SCHEMBL15972712

SCHEMBL15972712

CC(C)NCCC(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.64
AKT2 P31751 20/20 0.64
AKT3 Q9Y243 20/20 0.64
PIK3CA P42336 1/20 0.64
PRKG1 Q13976 1/20 0.64

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
SCHEMBL2367210 0.83 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191062 0.80 AKT1 (0.84) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191063 0.80 AKT1 (0.84) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193468 0.80 AKT1 (0.71) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193467 0.80 AKT1 (0.71) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL25230276 0.79 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191524 0.79 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL927111 0.79 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17545682 0.79 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL925482 0.79 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1

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-2959014-A2 METHODS AND COMPOSITIONS FOR DETECTING AND TREATING DRUG RESISTANT AKT MUTANT Genentech, Inc. (US) 2015-12-30 EP disclosed
WO-2014130923-A2 METHODS AND COMPOSITIONS FOR DETECTING AND TREATING DRUG RESISTANT AKT MUTANT GENENTECH, INC. (US) 2014-08-28 WO disclosed