SCHEMBL19251449

SCHEMBL19251449

C[C@H](Nc1ncnc2[nH]cnc12)C1=Cc2ccc(F)cc2S(=O)(=O)N1c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.42
PIK3R1 P27986 5/20 0.41
PIK3CG P48736 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CA P42336 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.34
EGFR P00533 1/20 0.32

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
SCHEMBL19254018 1.00 PIK3CD (0.42) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254002 0.90 PIK3CD (0.46) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251448 0.90 PIK3CD (0.46) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254004 0.87 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251431 0.87 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251441 0.86 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254006 0.86 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254022 0.84 PIK3CD (0.39) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251451 0.84 PIK3CD (0.39) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254005 0.83 PIK3CD (0.57) 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