SCHEMBL2738565

SCHEMBL2738565

NC(=O)C(CNCC(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 3/20 0.40
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
BACE1 P56817 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
GABBR2 O75899 3/20 0.36
GABBR1 Q9UBS5 3/20 0.36

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
SCHEMBL2738682 0.85 SLC6A4 (0.39) CNR2CYP2D6CYP2C9MEN1CYP2C19
SCHEMBL12188337 0.85 AKT1 (0.46) AKT1AKT2AKT3SMN1; SMN2CNR2
Potassium Ion SCHEMBL191383 0.84 AKT1 (0.43) AKT1AKT2AKT3SMN1; SMN2CNR2
SCHEMBL681180 0.83 AKT1 (0.44) AKT1AKT2AKT3SMN1; SMN2CNR2
SCHEMBL191445 0.83 L3MBTL1 (0.51) AKT1AKT2AKT3SMN1; SMN2CNR2
SCHEMBL2738478 0.81 AKT1 (0.42) AKT1AKT2AKT3CNR2CYP2D6
SCHEMBL10257267 0.80 FFAR2 (0.41) AKT2AKT3CNR2CYP2D6CYP2C9
SCHEMBL681563 0.80 AKT1 (0.42) AKT1AKT2AKT3SMN1; SMN2CNR2
SCHEMBL22758202 0.80 CYP2C9 (0.41) SMN1; SMN2CNR2CYP2D6CYP2C9MEN1
SCHEMBL2738661 0.78 CYP2C9 (0.39) CNR2CYP2D6CYP2C9MEN1CYP2C19

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
WO-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
EP-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 EP disclosed
EP-2399909-A1 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors Array Biopharma, Inc. (US) 2011-12-28 EP disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed