SCHEMBL681573

SCHEMBL681573

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.36
FFAR2 O15552 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL679637 0.86 AKT1 (0.45) L3MBTL1AKT1AKT2AKT3HTT
SCHEMBL681742 0.83 AKT1 (0.41) L3MBTL1AKT1AKT2AKT3HPGD
SCHEMBL684413 0.83 AKT1 (0.46) L3MBTL1AKT1AKT2AKT3HTT
SCHEMBL2738591 0.82 AKT1 (0.46) L3MBTL1AKT1AKT2AKT3HTT
SCHEMBL12194498 0.81 FFAR2 (0.41) L3MBTL1AKT2AKT3HPGDPOLB
SCHEMBL681157 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPTHPGDPOLB
SCHEMBL12194476 0.78 FFAR2 (0.38) L3MBTL1AKT1AKT2AKT3HPGD
SCHEMBL681545 0.77 L3MBTL1 (0.40) L3MBTL1AKT1AKT2AKT3ALDH1A1
SCHEMBL681680 0.77 L3MBTL1 (0.40) L3MBTL1AKT1AKT2AKT3ALDH1A1
SCHEMBL681135 0.77 L3MBTL1 (0.40) L3MBTL1AKT1AKT2AKT3ALDH1A1

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