SCHEMBL19254020

SCHEMBL19254020

CC(Nc1ncnc(N)c1C#N)C1=Cc2cccc(F)c2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.72
PIK3R1 P27986 17/20 0.72
PIK3CG P48736 8/20 0.60
PIK3CB P42338 6/20 0.60
PIK3CA P42336 5/20 0.60
PIK3R2 O00459 1/20 0.45

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
SCHEMBL19251444 1.00 PIK3CD (0.72) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254009 0.93 PIK3CD (0.63) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251438 0.93 PIK3CD (0.63) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254017 0.92 PIK3CD (0.62) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251450 0.92 PIK3CD (0.62) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251440 0.90 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254011 0.90 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254019 0.85 PIK3CD (0.61) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251411 0.85 PIK3CD (0.61) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254010 0.84 PIK3CD (0.60) 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