SCHEMBL4781897

SCHEMBL4781897

C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)CN)cc2)cc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.52
CD274 Q9NZQ7 4/20 0.52
PIK3CB P42338 9/20 0.50
MOK Q9UQ07 1/20 0.49
PIK3CA P42336 4/20 0.47
PIK3CD O00329 3/20 0.47
PIK3CG P48736 1/20 0.47
ATR Q13535 7/20 0.46
CHEK1 O14757 3/20 0.46
ATRIP Q8WXE1 3/20 0.46
PIK3R1 P27986 1/20 0.43

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
SCHEMBL4521616 0.96 PIK3CB (0.53) PDCD1CD274PIK3CBMOKPIK3CA
SCHEMBL4728818 0.89 PIK3CB (0.60) PIK3CBMOKPIK3CAPIK3CDPIK3CG
SCHEMBL4523237 0.84 PIK3CD (0.45) PDCD1CD274PIK3CBMOKPIK3CA
SCHEMBL3993035 0.82 PIK3CB (0.56) PDCD1CD274PIK3CBPIK3CAPIK3CD
SCHEMBL4532379 0.82 PIK3CB (0.61) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4838406 0.81 PIK3CB (0.69) PDCD1CD274PIK3CBPIK3CAPIK3CD
SCHEMBL4730534 0.81 PIK3CB (0.69) PDCD1CD274PIK3CBPIK3CAPIK3CD
SCHEMBL4590287 0.81 PIK3CB (0.52) PDCD1CD274PIK3CBPIK3CAPIK3CD
SCHEMBL4573091 0.81 PIK3CB (0.66) PDCD1CD274PIK3CBPIK3CAPIK3CD
SCHEMBL4525405 0.80 PIK3CB (0.58) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1

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 disclosed