SCHEMBL17029624

SCHEMBL17029624

CC1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](CNCC4CC4)c4ccc(Cl)cc4)CC3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 1.00
AKT2 P31751 20/20 1.00
AKT3 Q9Y243 20/20 1.00
PIK3CA P42336 1/20 0.79
PRKG1 Q13976 1/20 0.79

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
SCHEMBL17424837 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191447 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191446 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192796 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17424861 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL190978 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL190979 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12168852 0.92 AKT1 (0.86) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12168865 0.92 AKT1 (0.86) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191851 0.92 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402325-B1 Hydroxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-08-26 EP disclosed
EP-2399909-B1 Hydroxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-08-26 EP disclosed