SCHEMBL4728682

SCHEMBL4728682

O=C(CNC(=O)[C@@H]1CCCN1)Nc1ccc(-c2nc(N3CCOCC3)cc(C3(C(F)F)Nc4ccccc4N3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.43
JAK2 O60674 3/20 0.40
PDGFRB P09619 2/20 0.40
FLT3 P36888 2/20 0.40
TBK1 Q9UHD2 2/20 0.40
IKBKB O14920 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
RPS6KB1 P23443 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAP3K9 P80192 1/20 0.40
PLK4 O00444 1/20 0.40
CIT O14578 1/20 0.40
GAK O14976 1/20 0.40
BUB1 O43683 1/20 0.40

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
SCHEMBL4731787 0.90 JAK2 (0.45) JAK2PDGFRBFLT3TBK1IKBKB
SCHEMBL4730280 0.88 JAK2 (0.43) TERTJAK2PDGFRBFLT3TBK1
SCHEMBL4730678 0.81 PIK3CB (0.44) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4572916 0.81 PIK3CB (0.44) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4574510 0.81 PIK3CB (0.44) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3987968 0.79 JAK2 (0.51) JAK2PDGFRBFLT3TBK1IKBKB
SCHEMBL4729907 0.79 JAK2 (0.51) JAK2PDGFRBFLT3TBK1IKBKB
SCHEMBL4469166 0.78 PIK3CA (0.41) TERTJAK2PDGFRBFLT3TBK1
SCHEMBL4728335 0.77 JAK2 (0.48) JAK2PDGFRBFLT3TBK1IKBKB
SCHEMBL4727905 0.77 ATR (0.49) PIK3CAMTORCYP3A4PIK3CGATR

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-2008032077-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed