SCHEMBL8214586

SCHEMBL8214586

CC(C)(c1cc(N2CCOCC2)nc(-c2ccc(N)cc2)n1)S(=O)(=O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.47
▸ PIK3CA P42336 9/20 0.46
▸ MTOR P42345 4/20 0.46
▸ PIK3R1 P27986 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ATR Q13535 4/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PIK3CD O00329 3/20 0.42
▸ AKT1 P31749 1/20 0.40

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
SCHEMBL3595582 0.88 PIK3CD (0.56) PIK3CAMTORATRPIK3CD
SCHEMBL3606254 0.87 PIK3CD (0.57) PIK3CAMTORATRPIK3CD
SCHEMBL3607318 0.85 PIK3CA (0.58) NPSR1PIK3CAMTORPIK3R1SMN1; SMN2
SCHEMBL3591707 0.85 PIK3CD (0.59) PIK3CAMTORATRPIK3CD
SCHEMBL11926804 0.83 PIK3CA (0.51) NPSR1PIK3CAMTORPIK3R1SMN1; SMN2
SCHEMBL8205302 0.80 NPSR1 (0.48) NPSR1PIK3CAMTORPIK3R1SMN1; SMN2
SCHEMBL8214750 0.80 MTOR (0.50) NPSR1PIK3CAMTORPIK3R1SMN1; SMN2
SCHEMBL11925883 0.78 PTGS2 (0.38) PIK3CAMTORPIK3R1ATRMEN1
SCHEMBL3588712 0.76 PIK3CD (0.51) PIK3CAMTORATRPIK3CD
SCHEMBL738650 0.74 PIK3CA (0.72) PIK3CAMTORPIK3R1ATRPIK3CD

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 — — WO disclosed
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