SCHEMBL681385

SCHEMBL681385

C=C(C(C)C)[C@H](CNCC(C)C)c1ccc(Cl)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
GPR139 Q6DWJ6 16/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL679735 0.87 LMNA (0.40) LMNAGPR139HPGD
SCHEMBL681191 0.85 AKT1 (0.44) LMNAGPR139HPGD
SCHEMBL681539 0.85 AKT1 (0.44) LMNAGPR139HPGD
SCHEMBL684434 0.85 LMNA (0.41) LMNAGPR139HPGD
SCHEMBL680165 0.85 AKT1 (0.36) GPR139
SCHEMBL2738672 0.84 LMNA (0.40) LMNAGPR139HPGD
SCHEMBL680134 0.83 EPHX1 (0.38)
SCHEMBL680152 0.81 APP (0.38) GPR139
SCHEMBL681699 0.79 AKT1 (0.41) LMNA
SCHEMBL681179 0.77 AKT1 (0.51)

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