SCHEMBL4728335

SCHEMBL4728335

O=C(Nc1ccc(-c2cc(C3(C(F)F)Nc4ccccc4N3)nc(N3CCOCC3)n2)cc1)[C@@H]1CCCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.48
PDGFRB P09619 2/20 0.48
FLT3 P36888 2/20 0.48
TBK1 Q9UHD2 2/20 0.48
JAK3 P52333 2/20 0.48
IKBKB O14920 1/20 0.48
KIT P10721 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
RPS6KB1 P23443 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
MAP3K9 P80192 1/20 0.48
PLK4 O00444 1/20 0.48
CIT O14578 1/20 0.48
GAK O14976 1/20 0.48
BUB1 O43683 1/20 0.48
ROCK2 O75116 1/20 0.48

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
SCHEMBL4729907 0.98 JAK2 (0.51) JAK2PDGFRBFLT3TBK1JAK3
SCHEMBL4730280 0.90 JAK2 (0.43) JAK2PDGFRBFLT3TBK1JAK3
SCHEMBL4731787 0.87 JAK2 (0.45) JAK2PDGFRBFLT3TBK1JAK3
SCHEMBL3987968 0.84 JAK2 (0.51) JAK2PDGFRBFLT3TBK1JAK3
SCHEMBL4728451 0.80 LMNA (0.48) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL4794320 0.78 PIK3CA (0.48) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL3987459 0.78 JAK2 (0.41) JAK2PDGFRBFLT3TBK1JAK3
SCHEMBL4728682 0.77 TERT (0.43) JAK2PDGFRBFLT3TBK1JAK3
SCHEMBL4730678 0.76 PIK3CB (0.44) PIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL4572916 0.76 PIK3CB (0.44) PIK3CAPIK3CGPIK3CBPIK3CD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed