SCHEMBL8205305

SCHEMBL8205305

CC(C)(c1cc(N2CCOC[C@@H]2I)nc(-c2ccc(N)cc2)n1)S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.45
PIK3CD O00329 4/20 0.45
ATR Q13535 10/20 0.38
CHEK1 O14757 7/20 0.38
PDCD1 Q15116 7/20 0.38
ATRIP Q8WXE1 7/20 0.38
CD274 Q9NZQ7 7/20 0.38
FPR2 P25090 2/20 0.38
SCN9A Q15858 2/20 0.38
PIK3R1 P27986 2/20 0.37
MTOR P42345 4/20 0.36

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
SCHEMBL3592959 0.90 PIK3CA (0.56) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3605539 0.83 PIK3CA (0.56) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL740453 0.79 PIK3CA (0.60) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3601618 0.79 PDCD1 (0.57) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL8214750 0.78 MTOR (0.50) PIK3CAATRPIK3R1MTOR
SCHEMBL3597950 0.78 PIK3CA (0.56) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL738650 0.77 PIK3CA (0.72) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3594578 0.77 PIK3CA (0.61) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3594553 0.76 PIK3CA (0.67) PIK3CAPIK3CDATRMTOR
SCHEMBL3597669 0.76 PIK3CA (0.49) PIK3CAPIK3CDATRCHEK1PDCD1

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed