SCHEMBL3987459

SCHEMBL3987459

O=C(Nc1ccc(-c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)cc1)C1COCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.41
JAK3 P52333 3/20 0.41
PDGFRB P09619 2/20 0.41
FLT3 P36888 2/20 0.41
IKBKB O14920 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KB1 P23443 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MAP3K9 P80192 1/20 0.41
PLK4 O00444 1/20 0.41
CIT O14578 1/20 0.41
GAK O14976 1/20 0.41
BUB1 O43683 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41

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
SCHEMBL3987968 0.92 JAK2 (0.51) JAK2JAK3PDGFRBFLT3IKBKB
SCHEMBL3987449 0.87 JAK2 (0.46) JAK2JAK3PDGFRBFLT3IKBKB
SCHEMBL3992722 0.82 MOK (0.43) MOKMTORPIK3CAMAPTPIK3CG
SCHEMBL3988815 0.82 MOK (0.42) JAK2JAK3MOKMTORPIK3CA
SCHEMBL3987596 0.81 MOK (0.38) MOKPDPK1AURKAROCK1AURKB
SCHEMBL3988357 0.81 AKT1 (0.43) JAK2JAK3MOKMTORPIK3CA
SCHEMBL3990070 0.80 JAK2 (0.41) JAK2JAK3MOKMTORPIK3CA
SCHEMBL4729907 0.78 JAK2 (0.51) JAK2JAK3PDGFRBFLT3IKBKB
SCHEMBL3984546 0.78 PIK3CD (0.39) JAK2JAK3JAK1MOKMTOR
SCHEMBL4528340 0.78 PIK3CB (0.56) MTORPIK3CAPIK3CGPIK3CDPIK3CB

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-2061784-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-27 EP claimed
WO-2008032086-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed