SCHEMBL387793

SCHEMBL387793

CC(C)(C)N(CC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.75
ROCK2 O75116 9/20 0.70
AKT2 P31751 8/20 0.70
AKT3 Q9Y243 8/20 0.70
PRKD3 O94806 2/20 0.70
LATS1 O95835 2/20 0.70
PRKCB P05771 2/20 0.70
RET P07949 2/20 0.70
FGFR1 P11362 2/20 0.70
PRKCA P17252 2/20 0.70
PRKACA P17612 2/20 0.70
PRKACB P22694 2/20 0.70
GRK2 P25098 2/20 0.70
CLK1 P49759 2/20 0.70
LIMK1 P53667 2/20 0.70
LIMK2 P53671 2/20 0.70
PRKAG1 P54619 2/20 0.70
PRKCQ Q04759 2/20 0.70
PRKCD Q05655 2/20 0.70
PRKAA1 Q13131 2/20 0.70

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
SCHEMBL390474 0.90 AKT1 (0.75) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL15809736 0.87 AKT1 (0.72) AKT1ROCK2AKT2AKT3PRKD3
SCHEMBL15809734 0.87 AKT1 (0.72) AKT1ROCK2AKT2AKT3PRKD3
SCHEMBL389230 0.86 AKT1 (1.00) AKT1ROCK2AKT2AKT3PRKD3
SCHEMBL389229 0.86 AKT1 (1.00) AKT1ROCK2AKT2AKT3PRKD3
SCHEMBL4143628 0.85 AKT1 (0.82) AKT1ROCK2AKT2AKT3PRKD3
SCHEMBL4143634 0.84 AKT1 (0.75) AKT1ROCK2AKT2AKT3PRKD3
SCHEMBL29436069 0.83 AKT1 (0.74) AKT1ROCK2AKT2AKT3PRKD3
Capivasertib SCHEMBL391382 0.83 AKT1 (1.00) AKT1ROCK2AKT2AKT3PRKD3
Capivasertib SCHEMBL31360985 0.83 AKT1 (1.00) AKT1ROCK2AKT2AKT3PRKD3

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-8101623-B2 Substituted pyrrolo[2,3-d]pyrimidine as a protein kinase B inhibitor ASTRAZENECA AB (SE) 2012-01-24 US disclosed