SCHEMBL19251619

SCHEMBL19251619

CC(Nc1ncnc2[nH]cnc12)C1=Nc2ncccc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.59
PIK3R1 P27986 17/20 0.59
PIK3CB P42338 4/20 0.49
PIK3CG P48736 4/20 0.49
PIK3CA P42336 2/20 0.49
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
SCHEMBL19251625 0.88 PIK3CD (0.53) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251623 0.84 PIK3R1 (0.62) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251421 0.83 PIK3CD (0.77) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252620 0.81 PIK3R1 (0.79) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251419 0.81 PIK3R1 (0.77) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251635 0.81 PIK3R1 (0.79) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251387 0.79 PIK3R1 (0.77) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252622 0.78 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251612 0.78 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251631 0.77 PIK3R1 (0.60) 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