SCHEMBL681699

SCHEMBL681699

C=C(C(C)C)[C@H](CNC1CCCC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.41
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 2/20 0.41
ATF4 P18848 3/20 0.37
SLC6A3 Q01959 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RPS6KB1 P23443 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
SCHEMBL681179 0.90 AKT1 (0.51) AKT1AKT2AKT3
SCHEMBL679652 0.88 AKT1 (0.43) AKT1AKT2AKT3ATF4SLC6A3
SCHEMBL17803815 0.88 AKT1 (0.36) AKT1AKT2AKT3SLC6A3SLC6A4
SCHEMBL12188592 0.86 AKT1 (0.44) AKT1AKT2AKT3ATF4SLC6A3
SCHEMBL680134 0.85 EPHX1 (0.38) AKT1AKT2AKT3SLC6A3NPC1
SCHEMBL2739098 0.83 AKT1 (0.42) AKT1AKT2AKT3ATF4SLC6A3
SCHEMBL681191 0.83 AKT1 (0.44) AKT1AKT2AKT3LMNACYP1A2
SCHEMBL681539 0.83 AKT1 (0.44) AKT1AKT2AKT3LMNACYP1A2
SCHEMBL680165 0.82 AKT1 (0.36) AKT1AKT2AKT3SLC6A3CYP2D6
SCHEMBL680141 0.82 AKT3 (0.45) AKT1AKT2AKT3NPC1RAB9A

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