SCHEMBL3654802

SCHEMBL3654802

CNCCCN(C(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.49
AKT2 P31751 9/20 0.49
ROCK2 O75116 8/20 0.46
AKT3 Q9Y243 7/20 0.46
KCNH2 Q12809 5/20 0.46
CYP2C9 P11712 1/20 0.46
JAK3 P52333 1/20 0.45

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
SCHEMBL3655526 0.94 AKT1 (0.51) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3650884 0.93 AKT1 (0.52) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3651764 0.92 AKT1 (0.54) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3656537 0.92 AKT1 (0.52) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3659051 0.90 AKT1 (0.51) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL391354 0.88 AKT1 (0.51) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3651970 0.81 AKT1 (0.55) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3654094 0.80 AKT1 (0.52) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL391814 0.80 AKT1 (0.55) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL390778 0.80 AKT1 (0.73) AKT1AKT2ROCK2AKT3KCNH2

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