SCHEMBL19251391

SCHEMBL19251391

CCC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.47
PIK3R1 P27986 16/20 0.47
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PIK3CA P42336 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL19251630 0.86 PIK3R1 (0.61) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251423 0.84 PIK3CD (0.50) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251422 0.76 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251419 0.75 PIK3R1 (0.77) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251631 0.73 PIK3R1 (0.60) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251475 0.72 PIK3CD (0.61) PIK3CDPIK3R1HCRTR1HCRTR2
SCHEMBL19251421 0.72 PIK3CD (0.77) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251480 0.69 PIK3R1 (0.56) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251623 0.68 PIK3R1 (0.62) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL27743834 0.68 PIK3CD (0.44) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA

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
WO-2017133655-A1 BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE 浙江大学 2017-08-10 WO disclosed