SCHEMBL3655529

SCHEMBL3655529

CC(C)(C)OC(=O)NC1(C(=O)NCCC(O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.57
ROCK2 O75116 10/20 0.54
AKT2 P31751 9/20 0.54
AKT3 Q9Y243 9/20 0.54
KCNH2 Q12809 5/20 0.54
PRKD3 O94806 2/20 0.52
LATS1 O95835 2/20 0.52
PRKCB P05771 2/20 0.52
RET P07949 2/20 0.52
FGFR1 P11362 2/20 0.52
PRKCA P17252 2/20 0.52
PRKACA P17612 2/20 0.52
PRKACB P22694 2/20 0.52
GRK2 P25098 2/20 0.52
CLK1 P49759 2/20 0.52
LIMK1 P53667 2/20 0.52
LIMK2 P53671 2/20 0.52
PRKAG1 P54619 2/20 0.52
PRKCQ Q04759 2/20 0.52
PRKCD Q05655 2/20 0.52

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
SCHEMBL3650885 0.93 AKT1 (0.57) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL3654806 0.91 AKT1 (0.61) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL3651769 0.91 AKT1 (0.55) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL3656540 0.89 AKT1 (0.60) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL392234 0.87 AKT1 (0.74) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL387935 0.87 AKT1 (0.73) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL390778 0.85 AKT1 (0.73) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL392121 0.85 AKT1 (0.71) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL391178 0.85 AKT1 (0.71) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL390346 0.85 AKT1 (0.71) AKT1ROCK2AKT2AKT3KCNH2

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
EP-2201012-A1 PYRROLO [2, 3 -D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS AstraZeneca AB (SE) 2010-06-30 EP disclosed
WO-2009047563-A1 PYRROLO [2, 3 -D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed