SCHEMBL681322

SCHEMBL681322

C=C(C(C)C)[C@H](CN(C)C(C)C)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRB2 P07550 1/20 0.35
BRD4 O60885 1/20 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
SCHEMBL12194484 1.00 AOC3 (0.41) AOC3AKT1AKT2AKT3POLB
SCHEMBL12194496 0.87 LMNA (0.46) AOC3POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL680133 0.87 LMNA (0.46) AOC3POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL679658 0.84 POLB (0.42) AOC3AKT1AKT2AKT3POLB
SCHEMBL681624 0.84 PYCR1 (0.40) POLB
SCHEMBL12367542 0.84 POLB (0.42) AOC3AKT1AKT2AKT3POLB
SCHEMBL21506836 0.83 AOC3 (0.41) AOC3AKT1AKT2AKT3POLB
SCHEMBL12194497 0.83 AOC3 (0.41) AOC3POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL12188541 0.83 BRD4 (0.46) AOC3AKT1AKT2AKT3POLB
SCHEMBL8223669 0.83 BRD4 (0.46) AOC3AKT1AKT2AKT3POLB

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