SCHEMBL19254026

SCHEMBL19254026

CC(Nc1ncnc2[nH]cnc12)C1=Cc2cccc(Cl)c2SN1c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.37
PIK3CG P48736 7/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
ABCB11 O95342 1/20 0.34
TBXA2R P21731 1/20 0.34
PIK3R1 P27986 1/20 0.34
HTR2A P28223 1/20 0.34
PDE3A Q14432 1/20 0.34
PDPK1 O15530 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL19251403 0.90 PIK3CD (0.39) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL19254021 0.82 PIK3CD (0.40) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL19251418 0.80 PIK3CD (0.45) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL19254008 0.80 PIK3CD (0.45) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL19251409 0.76 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL19252975 0.76 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL19251429 0.75 PIK3CD (0.41) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL18529223 0.72 PIK3R1 (0.39) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL19252621 0.72 PIK3R1 (0.49) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL31628341 0.72 PIK3R1 (0.39) PIK3CDPIK3CGPIK3CAPIK3CBABCB11

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