SCHEMBL4596247

SCHEMBL4596247

Cc1nc(Nc2cncc(NCCCO)n2)sc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.53
PIK3CG P48736 5/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CB P42338 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CDK2 P24941 3/20 0.38
PIK3C3 Q8NEB9 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 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
SCHEMBL2396542 0.90 MEN1 (0.50) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL2395427 0.82 MEN1 (0.46) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL2395156 0.81 CDK2 (0.59) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL2396147 0.80 MEN1 (0.56) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL2395910 0.78 MEN1 (0.60) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL6274171 0.77 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL2396859 0.74 MEN1 (0.50) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL2398695 0.73 MEN1 (0.76) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL2395898 0.73 MEN1 (0.58) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL2395892 0.73 MEN1 (0.67) PIK3CDPIK3CGPIK3CAPIK3CBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 WO disclosed