SCHEMBL3656322

SCHEMBL3656322

CCN(CC)CCCN(C(=O)C1(N(C(=O)OC(C)(C)C)c2ncnc3[nH]ccc23)CCNCC1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.39
AKT1 P31749 13/20 0.39
JAK1 P23458 4/20 0.36
JAK2 O60674 2/20 0.35
AKT2 P31751 5/20 0.35
ROCK2 O75116 4/20 0.33
AKT3 Q9Y243 3/20 0.33
KCNH2 Q12809 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL3653319 0.93 JAK3 (0.40) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3653928 0.92 JAK3 (0.39) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3654966 0.91 JAK3 (0.38) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3652282 0.91 JAK3 (0.38) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3650425 0.91 JAK3 (0.38) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3650729 0.89 JAK3 (0.37) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3657184 0.89 JAK1 (0.38) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3657978 0.88 JAK3 (0.40) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3658279 0.88 JAK3 (0.38) JAK3AKT1JAK1JAK2AKT2
SCHEMBL3654813 0.88 JAK1 (0.39) JAK3AKT1JAK1JAK2AKT2

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