SCHEMBL8219563

SCHEMBL8219563

C[C@H](CO)NC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(C)(=O)=O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.46
PIK3CA P42336 9/20 0.46
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
GHSR Q92847 1/20 0.36
RAB9A P51151 1/20 0.35
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL8213776 0.90 CA12 (0.48) PIK3CDPIK3CACA12CA1CA2
SCHEMBL11924776 0.87 PIK3CD (0.45) PIK3CDPIK3CACA12CA1CA2
SCHEMBL8214220 0.84 PIK3CA (0.48) PIK3CDPIK3CAALDH1A1MTOR
SCHEMBL8214526 0.84 PIK3CD (0.61) PIK3CDPIK3CAGHSRMTOR
SCHEMBL11925866 0.83 PIK3CA (0.48) PIK3CDPIK3CACA12CA1CA2
SCHEMBL8214174 0.82 PIK3CD (0.49) PIK3CDPIK3CACA12CA1CA2
SCHEMBL8206578 0.82 PIK3CD (0.46) PIK3CDPIK3CAALDH1A1LMNA
SCHEMBL8216529 0.82 PIK3CD (0.53) PIK3CDPIK3CAGHSRMTOR
SCHEMBL8216930 0.81 PIK3CD (0.50) PIK3CDPIK3CACA12CA1CA2
SCHEMBL8215123 0.81 NAMPT (0.55) PIK3CDPIK3CAALDH1A1MTOR

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