SCHEMBL8213776

SCHEMBL8213776

CC(C)NC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(C)(=O)=O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
PIK3CD O00329 9/20 0.46
PIK3CA P42336 7/20 0.46
GHSR Q92847 2/20 0.43
ROCK2 O75116 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
LIMK1 P53667 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8219563 0.90 PIK3CD (0.46) CA12CA1CA2CA9PIK3CD
SCHEMBL8214220 0.88 PIK3CA (0.48) PIK3CDPIK3CAMAPT
SCHEMBL11925958 0.86 CA2 (0.46) CA12CA1CA2CA9PIK3CA
SCHEMBL8206578 0.85 PIK3CD (0.46) PIK3CDPIK3CAMAPTNPSR1
SCHEMBL8214526 0.85 PIK3CD (0.61) PIK3CDPIK3CAGHSR
SCHEMBL8215123 0.84 NAMPT (0.55) PIK3CDPIK3CA
SCHEMBL8211453 0.84 CYP3A4 (0.47) CA12CA1CA2CA9PIK3CD
SCHEMBL8216529 0.83 PIK3CD (0.53) PIK3CDPIK3CAGHSRHDAC3HDAC1
SCHEMBL8214217 0.83 CA12 (0.46) CA12CA1CA2CA9PIK3CD
SCHEMBL8216930 0.82 PIK3CD (0.50) CA12CA1CA2CA9PIK3CD

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-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed