SCHEMBL19252975

SCHEMBL19252975

CC(Nc1ncnc2[nH]cnc12)C1=Cc2cccc(Cl)c2S(=O)(=O)N1c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.46
PIK3R1 P27986 11/20 0.46
PIK3CG P48736 7/20 0.46
PIK3CB P42338 6/20 0.46
PIK3CA P42336 4/20 0.46
ABCB11 O95342 1/20 0.37
TBXA2R P21731 1/20 0.37
HTR2A P28223 1/20 0.37
PDE3A Q14432 1/20 0.37
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL19251409 1.00 PIK3CD (0.46) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251418 0.94 PIK3CD (0.45) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254008 0.94 PIK3CD (0.45) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254013 0.92 PIK3CD (0.42) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251439 0.92 PIK3CD (0.42) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251460 0.92 PIK3R1 (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19252665 0.92 PIK3R1 (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254004 0.86 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251431 0.86 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251429 0.86 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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