SCHEMBL8215115

SCHEMBL8215115

Cn1cc(CNC(=O)Nc2ccc(-c3nc(N)cc(C(C)(C)S(C)(=O)=O)n3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.49
PIK3CA P42336 8/20 0.49
NAMPT P43490 9/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL11925415 0.90 MAPK1 (0.45) PIK3CDPIK3CANAMPTTSHR
SCHEMBL8222567 0.86 MAPK1 (0.40) PIK3CDPIK3CANAMPTTSHR
SCHEMBL8219056 0.85 NAMPT (0.54) PIK3CDPIK3CANAMPT
SCHEMBL8213351 0.85 TSHR (0.46) PIK3CANAMPTTSHR
SCHEMBL11926829 0.85 PIK3CA (0.52) PIK3CDPIK3CANAMPTTSHR
SCHEMBL8215080 0.84 PIK3CD (0.47) PIK3CDPIK3CANAMPT
SCHEMBL8219557 0.84 NAMPT (0.56) NAMPT
SCHEMBL8214526 0.83 PIK3CD (0.61) PIK3CDPIK3CA
SCHEMBL8097088 0.82 TSHR (0.47) PIK3CDPIK3CANAMPTTSHR
SCHEMBL8216529 0.81 PIK3CD (0.53) PIK3CDPIK3CA

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