SCHEMBL2367154

SCHEMBL2367154

CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)C[C@H]3O)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.81
AKT2 P31751 20/20 0.81
AKT3 Q9Y243 20/20 0.81
PIK3CA P42336 1/20 0.81
PRKG1 Q13976 1/20 0.81

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
SCHEMBL29822537 1.00 AKT1 (0.81) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191730 1.00 AKT1 (0.81) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191731 1.00 AKT1 (0.81) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL29822392 1.00 AKT1 (0.81) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191167 0.93 AKT1 (0.72) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191168 0.93 AKT1 (0.72) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192120 0.92 AKT1 (0.84) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL681057 0.92 AKT1 (0.84) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL21506776 0.91 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192860 0.91 AKT1 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049501-B1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-14 EP disclosed