SCHEMBL28924973

SCHEMBL28924973

Cn1cc(Oc2ccc(S(C)(=O)=O)cc2-c2cccc3[nH]ncc23)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.56
PIK3CD O00329 1/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
PRKDC P78527 1/20 0.56
BRD4 O60885 13/20 0.44
METAP2 P50579 2/20 0.43
BRAF P15056 1/20 0.40

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
SCHEMBL28640314 0.82 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2879628 0.81 BRD4 (0.50) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2880810 0.78 METAP2 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL28924972 0.76 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL15876525 0.72 METAP2 (0.44) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561236 0.72 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2883090 0.71 KCNH2 (0.55) BRD4
SCHEMBL3435497 0.70 METAP2 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL28640313 0.70 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL3435046 0.68 BRD4 (0.56) PIK3CABRD4METAP2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed