SCHEMBL2396546

SCHEMBL2396546

Cc1nc(Nc2cc[nH]n2)sc1-c1ccc(S(C)(=O)=O)c(OCCN2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.40
FLT3 P36888 2/20 0.40
PIK3CA P42336 7/20 0.38
PIK3R1 P27986 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CLK1 P49759 1/20 0.38
RAB9A P51151 1/20 0.38
AURKA O14965 1/20 0.37
PIK3CD O00329 5/20 0.37
PIK3CB P42338 5/20 0.37
PIK3CG P48736 4/20 0.37
BRD4 O60885 2/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
ADORA2A P29274 2/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL2396790 0.77 PIK3CD (0.41) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2396380 0.76 PIK3CD (0.62) PIK3CACLK1PIK3CDPIK3CBPIK3CG
Bromide SCHEMBL2398769 0.75 PIK3CD (0.61) PIK3CACLK1PIK3CDPIK3CBPIK3CG
SCHEMBL2397564 0.73 PIK3CD (0.64) PIK3CACLK1PIK3CDPIK3CBPIK3CG
SCHEMBL1889933 0.73 CDK2 (0.43) AURKAADORA2A
SCHEMBL2398723 0.71 PIK3CD (0.41) PIK3CACLK1PIK3CDPIK3CBPIK3CG
SCHEMBL2399363 0.71 PIK3CD (0.38) PIK3CACLK1PIK3CDPIK3CBPIK3CG
SCHEMBL2398248 0.71 PIK3CD (0.40) PIK3CACLK1PIK3CDPIK3CBPIK3CG
SCHEMBL2398780 0.69 PIK3CA (0.53) PIK3CANPC1ALDH1A1TSHRCLK1
SCHEMBL2397832 0.67 MEN1 (0.61) PIK3CANPC1ALDH1A1RAB9APIK3CD

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