SCHEMBL680149

SCHEMBL680149

C=C(C(C)C)[C@H](CNCC1CC1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.49
AKT2 P31751 2/20 0.49
AKT3 Q9Y243 2/20 0.49
PDE2A O00408 14/20 0.39
EPHX2 P34913 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38

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
SCHEMBL680763 0.89 AKT1 (0.51) AKT1AKT2AKT3PDE2AEPHX2
SCHEMBL12188418 0.86 AKT1 (0.53) AKT1AKT2AKT3PDE2AEPHX2
SCHEMBL17803806 0.85 LMNA (0.37) AKT1AKT2AKT3
SCHEMBL680165 0.84 AKT1 (0.36) AKT1AKT2AKT3
SCHEMBL680195 0.84 AKT1 (0.36) AKT1AKT2AKT3EPHX2
SCHEMBL2738647 0.84 AKT1 (0.51) AKT1AKT2AKT3PDE2ACYP11B1
SCHEMBL681171 0.84 EPHX2 (0.46) PDE2AEPHX2
SCHEMBL681580 0.82 ADRB2 (0.39) AKT1PDE2A
SCHEMBL681257 0.82 TEAD1 (0.42) AKT1AKT2AKT3EPHX2
SCHEMBL17803807 0.82 HTR2A (0.40) AKT1AKT2AKT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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