SCHEMBL19251454

SCHEMBL19251454

C[C@H](Nc1ncnc(N)c1C#N)C1=Cc2ccc(F)cc2SN1c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.57
PIK3CG P48736 13/20 0.57
PIK3R1 P27986 11/20 0.57
PIK3CB P42338 11/20 0.57
PIK3CA P42336 9/20 0.57
BCL2 P10415 1/20 0.47

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
SCHEMBL19251416 0.80 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19252657 0.80 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19254016 0.80 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19251446 0.80 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19254021 0.76 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19251430 0.76 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19251447 0.76 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19254014 0.76 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19254003 0.76 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19251438 0.76 PIK3CD (0.63) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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