SCHEMBL19251460

SCHEMBL19251460

CC(Nc1ncnc2[nH]cnc12)C1=Cc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 19/20 0.54
PIK3CD O00329 19/20 0.54
PIK3CB P42338 7/20 0.54
PIK3CG P48736 7/20 0.54
PIK3CA P42336 5/20 0.54
ABCB11 O95342 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2A P28223 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL19252665 1.00 PIK3R1 (0.54) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251409 0.92 PIK3CD (0.46) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252975 0.92 PIK3CD (0.46) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251418 0.91 PIK3CD (0.45) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19254008 0.91 PIK3CD (0.45) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19254012 0.90 PIK3CD (0.44) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251402 0.90 PIK3CD (0.44) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251442 0.89 PIK3R1 (0.48) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19254001 0.89 PIK3R1 (0.48) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251387 0.83 PIK3R1 (0.77) 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