SCHEMBL2398684

SCHEMBL2398684

Cc1nc(Nc2cncc(N3CCN(C)CC3)n2)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.55
PIK3CA P42336 19/20 0.55
PIK3CB P42338 16/20 0.55
PIK3CG P48736 7/20 0.55
JAK2 O60674 1/20 0.42
PTK2 Q05397 1/20 0.42
PIK3C2A O00443 1/20 0.38
PIK3C2B O00750 1/20 0.38
PIK3C2G O75747 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL2395275 0.83 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL2395488 0.82 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2398905 0.80 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL2397564 0.75 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2396722 0.73 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL6273930 0.72 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL1787285 0.72 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL2396790 0.72 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL48634 0.72 PIK3CG (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL2398780 0.70 PIK3CA (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB

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
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed