SCHEMBL19251403

SCHEMBL19251403

C[C@H](Nc1ncnc2[nH]cnc12)C1=Cc2cccc(Cl)c2SN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.39
PIK3R1 P27986 15/20 0.39
PIK3CB P42338 10/20 0.39
PIK3CG P48736 10/20 0.39
PIK3CA P42336 8/20 0.39
ABCB11 O95342 1/20 0.39
TBXA2R P21731 1/20 0.39
HTR2A P28223 1/20 0.39
PDE3A Q14432 1/20 0.39
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL19254026 0.90 PIK3CD (0.37) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252621 0.82 PIK3R1 (0.49) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251629 0.82 PIK3R1 (0.49) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252656 0.81 PIK3CD (0.37) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251415 0.81 PIK3CD (0.37) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251491 0.80 PIK3CD (0.41) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL27914774 0.80 PIK3R1 (0.39) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL18529223 0.80 PIK3R1 (0.39) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL31628341 0.80 PIK3R1 (0.39) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251460 0.79 PIK3R1 (0.54) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA

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