SCHEMBL19252983

SCHEMBL19252983

CC(Nc1ncnc2[nH]cnc12)C1=Cc2ccncc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.46
PIK3R1 P27986 14/20 0.46
PIK3CB P42338 5/20 0.40
PIK3CG P48736 5/20 0.40
PIK3CA P42336 3/20 0.40
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL19254002 0.86 PIK3CD (0.46) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251448 0.86 PIK3CD (0.46) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251623 0.84 PIK3R1 (0.62) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251408 0.82 PIK3CD (0.46) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252669 0.82 PIK3CD (0.46) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252973 0.81 PIK3CD (0.43) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251460 0.81 PIK3R1 (0.54) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251442 0.81 PIK3R1 (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19254001 0.81 PIK3R1 (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252974 0.81 PIK3CD (0.63) 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