SCHEMBL19251632

SCHEMBL19251632

CCC(Nc1nc(F)nc2[nH]cnc12)C1=Nc2cccc(F)c2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.78
PIK3R1 P27986 17/20 0.78
PIK3CG P48736 8/20 0.44
PIK3CB P42338 7/20 0.44
PIK3CA P42336 5/20 0.44
PIK3R2 O00459 1/20 0.38
ABCB11 O95342 1/20 0.38
HTR1A P08908 1/20 0.38
PTGS1 P23219 1/20 0.38
OPRM1 P35372 1/20 0.38
PRKDC P78527 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3A Q14432 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL19251422 0.90 PIK3CD (0.70) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251406 0.81 PIK3CD (0.53) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251420 0.77 PIK3R1 (0.76) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251407 0.76 PIK3CD (1.00) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251630 0.74 PIK3R1 (0.61) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251386 0.71 PIK3CD (0.47) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251423 0.70 PIK3CD (0.50) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL16568154 0.69 PIK3CD (0.47) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19072474 0.69 PIK3CD (0.45) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19072617 0.69 PIK3CD (0.45) 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