SCHEMBL3987968

SCHEMBL3987968

O=C(Nc1ccc(-c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)cc1)[C@@H]1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.51
JAK3 P52333 3/20 0.51
PDGFRB P09619 2/20 0.51
FLT3 P36888 2/20 0.51
TBK1 Q9UHD2 2/20 0.51
IKBKB O14920 2/20 0.51
KIT P10721 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 0.51
RPS6KB1 P23443 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
MAP3K9 P80192 1/20 0.51
PLK4 O00444 1/20 0.51
CIT O14578 1/20 0.51
GAK O14976 1/20 0.51
BUB1 O43683 1/20 0.51
ROCK2 O75116 1/20 0.51

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
SCHEMBL3987459 0.92 JAK2 (0.41) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL3987449 0.89 JAK2 (0.46) JAK2JAK3PDGFRBFLT3IKBKB
SCHEMBL4729907 0.86 JAK2 (0.51) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4728335 0.84 JAK2 (0.48) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4731787 0.84 JAK2 (0.45) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL3992722 0.83 MOK (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3988815 0.82 MOK (0.42) JAK2JAK3PIK3CAMTORPIK3CD
SCHEMBL3987596 0.82 MOK (0.38) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3988357 0.81 AKT1 (0.43) JAK2JAK3PIK3CAMTORPIK3CD
SCHEMBL3990070 0.80 JAK2 (0.41) JAK2JAK3PIK3CAMTORPIK3CD

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