SCHEMBL8235647

SCHEMBL8235647

CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(N)c(NI)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.66
ATR Q13535 5/20 0.64
PIK3CA P42336 11/20 0.63
CYP2C9 P11712 1/20 0.63
PIK3CD O00329 2/20 0.59
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.52
PRKDC P78527 1/20 0.52

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
SCHEMBL1271439 0.83 MTOR (0.81) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL1271831 0.82 MTOR (0.63) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL4368023 0.81 MTOR (0.76) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL8228636 0.80 MTOR (0.64) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL1271420 0.80 MTOR (1.00) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL4530579 0.80 MTOR (1.00) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL1271359 0.79 MTOR (0.81) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL4523291 0.79 MTOR (0.86) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL1271532 0.79 MTOR (0.79) MTORATRPIK3CACYP2C9PIK3CD
SCHEMBL3605023 0.78 MTOR (0.78) MTORATRPIK3CACYP2C9PIK3CD

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-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 WO disclosed