SCHEMBL2554261

SCHEMBL2554261

CC(C)NC(C(C=O)c1ccc(Cl)cc1)N1CCN(c2ncnc3c2[C@H](C)CC3(C)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKT3 Q9Y243 20/20 0.50
▸ AKT1 P31749 19/20 0.50
▸ AKT2 P31751 15/20 0.50
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PRKG1 Q13976 1/20 0.41

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
Hydrochloric Acid SCHEMBL3948594 0.99 AKT3 (0.49) AKT3AKT1AKT2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3948624 0.89 AKT3 (0.59) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL2367270 0.82 AKT1 (0.60) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL2556079 0.82 AKT1 (0.60) AKT3AKT1AKT2PIK3CAPRKG1
Hydrochloric Acid SCHEMBL15390326 0.82 AKT1 (0.59) AKT3AKT1AKT2PIK3CAPRKG1
Hydrochloric Acid SCHEMBL2554899 0.82 AKT1 (0.59) AKT3AKT1AKT2PIK3CAPRKG1
Hydrochloric Acid SCHEMBL4360899 0.81 AKT1 (0.57) AKT3AKT1AKT2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2573814 0.79 AKT1 (0.52) AKT3AKT1AKT2
SCHEMBL3947910 0.77 RPS6KB1 (0.39) AKT3AKT1AKT2
SCHEMBL192662 0.76 AKT3 (0.83) AKT3AKT1AKT2CYP1A2CYP3A4

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-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
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