SCHEMBL19254022

SCHEMBL19254022

CC(Nc1ncnc2[nH]cnc12)C1=Cc2cccc(F)c2S(=O)(=O)N1c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.39
PIK3R1 P27986 13/20 0.39
PIK3CB P42338 4/20 0.36
PIK3CG P48736 4/20 0.36
PIK3CA P42336 4/20 0.36
DYRK1A Q13627 1/20 0.31

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
SCHEMBL19251451 1.00 PIK3CD (0.39) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251402 0.90 PIK3CD (0.44) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19254012 0.90 PIK3CD (0.44) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251442 0.90 PIK3R1 (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19254001 0.90 PIK3R1 (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251429 0.86 PIK3CD (0.41) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251439 0.85 PIK3CD (0.42) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19254013 0.85 PIK3CD (0.42) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19254018 0.84 PIK3CD (0.42) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251449 0.84 PIK3CD (0.42) 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