SCHEMBL2554086

SCHEMBL2554086

C[C@H]1CN(C(c2ccc(Cl)c(F)c2)C(N)C=O)CCN1c1ncnc2c1CC[C@@H]2O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.38
AKT2 P31751 3/20 0.38
AKT3 Q9Y243 3/20 0.38
AKT1S1 Q96B36 5/20 0.35
RPS6KB1 P23443 4/20 0.33
P2RX3 P56373 1/20 0.33
KRAS P01116 1/20 0.31

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
SCHEMBL12813058 1.00 AKT1 (0.38) AKT1AKT2AKT3AKT1S1RPS6KB1
SCHEMBL2557651 0.90 AKT1 (0.36) AKT1AKT2AKT3
SCHEMBL2554867 0.90 AKT1 (0.36) AKT1AKT2AKT3
SCHEMBL2557757 0.86 AKT1 (0.51) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL4570722 0.82 AKT1 (0.36) AKT1AKT2AKT3AKT1S1RPS6KB1
SCHEMBL15974529 0.80 AKT1 (0.40) AKT1AKT2AKT3AKT1S1RPS6KB1
Hydrochloric Acid SCHEMBL3942635 0.79 AKT1 (0.39) AKT1AKT2AKT3AKT1S1RPS6KB1
SCHEMBL2552239 0.76 AKT2 (0.41) AKT1AKT2AKT3AKT1S1RPS6KB1
SCHEMBL193217 0.75 AKT1 (0.54) AKT1AKT2AKT3
SCHEMBL190622 0.75 AKT1 (0.54) AKT1AKT2AKT3

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-2694959-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS Genentech, Inc. (US) 2014-02-12 EP disclosed
EP-2558864-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY Genentech, Inc. (US) 2013-02-20 EP disclosed
WO-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed