SCHEMBL8098280

SCHEMBL8098280

O=C(Nc1ccc(-c2nc(NCCO)cc(C3(S(=O)(=O)CCCO)CCC3)n2)cc1)Nc1ccon1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.38
MTOR P42345 4/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PIK3CD O00329 7/20 0.34
PIK3CA P42336 6/20 0.34
PIK3CG P48736 2/20 0.34
PIK3CB P42338 1/20 0.34
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL8084988 0.85 RAB9A (0.41) RAB9ANPC1POLBMTORKMT2A
SCHEMBL8100159 0.85 PIK3CA (0.36) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL8106629 0.83 PIK3CD (0.34) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL8106631 0.83 CYP1A2 (0.35) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL8091770 0.81 MTOR (0.37) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL4207101 0.81 PIK3CA (0.54) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL8098837 0.80 PIK3CA (0.40) MTORKMT2AMEN1PIK3CDPIK3CA
SCHEMBL11925854 0.77 RAB9A (0.48) RAB9ANPC1POLBMTORKMT2A
SCHEMBL4011751 0.77 PIK3CA (0.57) MTORPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL8091352 0.76 PIK3CA (0.41) RAB9ANPC1MTORPIK3CDPIK3CA

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