SCHEMBL2557784

SCHEMBL2557784

CC(C)N(C)C(C=O)C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.61
AKT2 P31751 20/20 0.61
AKT3 Q9Y243 20/20 0.61
PIK3CA P42336 1/20 0.55
PRKG1 Q13976 1/20 0.55

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
SCHEMBL2556250 0.92 AKT1 (0.59) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2556234 0.87 AKT1 (0.61) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2556845 0.85 AKT1 (0.63) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2552466 0.85 AKT1 (0.63) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2559387 0.84 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12813065 0.84 AKT1 (0.59) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL15974120 0.82 AKT1 (0.54) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2559323 0.82 AKT1 (0.59) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2555321 0.82 AKT1 (0.59) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12813070 0.81 AKT1 (0.57) 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 4 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
EP-2558864-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY Genentech, Inc. (US) 2013-02-20 EP disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed