SCHEMBL2559596

SCHEMBL2559596

C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(N)C(C=O)c4ccc(Cl)c(F)c4)CC3)c21

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 0.47
PRKG1 Q13976 1/20 0.47

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
SCHEMBL2551813 1.00 AKT1 (0.61) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2557564 0.92 AKT1 (0.54) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2554895 0.92 AKT1 (0.54) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2557021 0.91 AKT1 (0.51) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2549861 0.91 AKT1 (0.51) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2557710 0.89 AKT1 (0.63) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12813020 0.89 AKT1 (0.59) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12812962 0.89 AKT1 (0.61) AKT1AKT2AKT3PIK3CAPRKG1
Hydrochloric Acid SCHEMBL12813096 0.88 AKT1 (0.62) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2556499 0.88 AKT1 (0.62) 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-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