SCHEMBL681791

SCHEMBL681791

C=C(C(C)C)[C@H](CNC1CCC(C)(C)CC1)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HSD11B1 P28845 6/20 0.34

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
SCHEMBL680825 0.88 POLB (0.38) POLB
SCHEMBL680199 0.88 AKT3 (0.36) POLBHSD11B1
SCHEMBL681788 0.86 POLB (0.35) POLBHSD11B1
SCHEMBL683339 0.85 CYP1A2 (0.38) POLB
SCHEMBL2739041 0.84 ALDH1A1 (0.37) POLBHSD11B1
SCHEMBL681242 0.84 AKT1 (0.37) POLBHSD11B1
SCHEMBL681566 0.77 MEN1 (0.40) POLB
SCHEMBL680817 0.76 AKT3 (0.39) POLB
SCHEMBL681349 0.76 POLB (0.39) POLBHSD11B1
SCHEMBL679738 0.74 POLB (0.38) POLBHSD11B1

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
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed