SCHEMBL4152241

SCHEMBL4152241

CC1COCCN1c1cc(C2(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.49
ATRIP Q8WXE1 4/20 0.48
MTOR P42345 4/20 0.45
TAF1 P21675 3/20 0.45
PRKDC P78527 2/20 0.45
PIK3CA P42336 3/20 0.45
PIK3R1 P27986 2/20 0.45
KCNH2 Q12809 2/20 0.45
ATM Q13315 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45

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
SCHEMBL4202262 1.00 ATR (0.49) ATRATRIPMTORTAF1PRKDC
SCHEMBL4195472 0.94 ATR (0.49) ATRATRIPMTORTAF1PRKDC
SCHEMBL4198887 0.90 ATR (0.53) ATRATRIPMTORTAF1PRKDC
SCHEMBL4207731 0.90 ATR (0.54) ATRATRIPMTORTAF1PRKDC
SCHEMBL4194589 0.87 ATR (0.51) ATRATRIPMTORTAF1PRKDC
SCHEMBL4201748 0.87 ATR (0.51) ATRATRIPMTORTAF1PRKDC
SCHEMBL4205824 0.87 ATR (0.49) ATRATRIPMTORTAF1PRKDC
SCHEMBL4205559 0.87 ATR (0.48) ATRATRIPMTORTAF1PRKDC
SCHEMBL4194587 0.86 ATR (0.49) ATRATRIPMTORTAF1PRKDC
SCHEMBL3924084 0.86 ATR (0.51) ATRATRIPMTORTAF1PRKDC

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-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed