SCHEMBL2367239

SCHEMBL2367239

CC1C[C@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNC4CCOCC4)c4ccc(Br)cc4)CC3)c21

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.85
AKT2 P31751 20/20 0.85
AKT3 Q9Y243 20/20 0.85
PIK3CA P42336 1/20 0.63
PRKG1 Q13976 1/20 0.63

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
SCHEMBL17424859 1.00 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193460 1.00 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191646 1.00 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191645 1.00 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193459 1.00 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17029647 0.93 AKT1 (0.87) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12168853 0.93 AKT1 (0.87) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12168864 0.93 AKT1 (0.87) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193522 0.92 AKT1 (0.73) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193521 0.92 AKT1 (0.73) 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