SCHEMBL19251631

SCHEMBL19251631

CC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 19/20 0.60
PIK3CD O00329 18/20 0.60
PIK3CB P42338 4/20 0.48
PIK3CG P48736 4/20 0.48
PIK3CA P42336 2/20 0.48

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
SCHEMBL19251423 0.90 PIK3CD (0.50) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251419 0.85 PIK3R1 (0.77) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251421 0.83 PIK3CD (0.77) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251390 0.80 PIK3R1 (0.38) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251623 0.79 PIK3R1 (0.62) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251420 0.78 PIK3R1 (0.76) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251387 0.77 PIK3R1 (0.77) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251619 0.77 PIK3CD (0.59) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251633 0.75 PIK3R1 (0.76) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251621 0.75 PIK3R1 (0.70) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA

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