SCHEMBL11898367

SCHEMBL11898367

CC1COCCN1c1cc(CS(C)(=O)=O)nc(-n2ccc(N)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.56
PIK3CD O00329 4/20 0.56
MTOR P42345 6/20 0.54
ATR Q13535 13/20 0.47
PDCD1 Q15116 11/20 0.47
CD274 Q9NZQ7 11/20 0.47
CHEK1 O14757 10/20 0.47
ATRIP Q8WXE1 10/20 0.47
ATM Q13315 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
SCHEMBL3600869 1.00 PIK3CA (0.56) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3594078 0.83 PIK3CA (0.55) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3095567 0.82 PIK3CA (0.60) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3609460 0.82 PIK3CA (0.66) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3597306 0.81 PIK3CA (0.53) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3606998 0.81 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL11898434 0.80 PIK3CA (0.55) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3598799 0.80 PIK3CA (0.55) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3600934 0.79 PIK3CA (0.58) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3597515 0.79 PIK3CA (0.49) PIK3CAPIK3CDMTORATRPDCD1

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
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed