SCHEMBL2490413

SCHEMBL2490413

CC1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CCN(C(=O)O)CC2)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.50
PIK3CA P42336 3/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
ATR Q13535 18/20 0.44
ATRIP Q8WXE1 5/20 0.44
TAF1 P21675 3/20 0.41
PRKDC P78527 2/20 0.41
KCNH2 Q12809 3/20 0.41
PIK3R1 P27986 1/20 0.41
ATM Q13315 1/20 0.41
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL4196732 1.00 MTOR (0.50) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2487286 0.91 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4203478 0.91 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL6519860 0.91 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4203309 0.90 ATR (0.54) MTORPIK3CAATRATRIPTAF1
SCHEMBL2489934 0.90 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2489931 0.90 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2491087 0.90 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2487547 0.89 PIK3CA (0.47) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2488472 0.89 PIK3CA (0.47) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 WO disclosed