SCHEMBL3655831

SCHEMBL3655831

CC(=O)Nc1cc(Cl)ccc1CCNC(=O)C1(N(C(=O)OC(C)(C)C)c2ncnc3[nH]ccc23)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.38
JAK2 O60674 7/20 0.38
AKT1 P31749 6/20 0.36
AKT2 P31751 3/20 0.36
JAK3 P52333 6/20 0.36
TYK2 P29597 2/20 0.35
LMNA P02545 1/20 0.33
ROCK2 O75116 1/20 0.33
BRAF P15056 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
SCHEMBL3652666 0.90 AKT1 (0.38) JAK1JAK2AKT1AKT2JAK3
SCHEMBL3655001 0.86 JAK1 (0.38) JAK1JAK2AKT1AKT2JAK3
SCHEMBL3647805 0.78 JAK3 (0.38) JAK1JAK2AKT2JAK3TYK2
SCHEMBL4438467 0.75 AAK1 (0.40) JAK1JAK2AKT1JAK3BRAF
SCHEMBL4440002 0.75 JAK1 (0.39) JAK1JAK2AKT1JAK3BRAF
SCHEMBL3650729 0.74 JAK3 (0.37) JAK1JAK2AKT1AKT2JAK3
SCHEMBL3657737 0.74 JAK3 (0.40) JAK1JAK2AKT1AKT2JAK3
SCHEMBL3650425 0.74 JAK3 (0.38) JAK1JAK2AKT1AKT2JAK3
SCHEMBL3653928 0.73 JAK3 (0.39) JAK1JAK2AKT1AKT2JAK3
SCHEMBL3653319 0.73 JAK3 (0.40) JAK1JAK2AKT1AKT2JAK3

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