SCHEMBL19252639

SCHEMBL19252639

CC(NC1(C)CCCCCCC1)C1=Nc2ccncc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 16/20 0.41
PIK3CD O00329 15/20 0.41
PIK3CB P42338 4/20 0.33
PIK3CG P48736 4/20 0.33
PIK3CA P42336 2/20 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
SCHEMBL19252627 0.80 PIK3R1 (0.45) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252660 0.79 PIK3R1 (0.36) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252643 0.71 PIK3R1 (0.39) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251623 0.70 PIK3R1 (0.62) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252624 0.70 PIK3R1 (0.82) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251487 0.70 PIK3R1 (0.82) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252651 0.69 PIK3CD (0.36) PIK3R1PIK3CD
SCHEMBL19252678 0.68 PIK3CD (0.34) PIK3R1PIK3CD
SCHEMBL29109311 0.67 PIK3CD (0.33) PIK3R1PIK3CD
SCHEMBL19251615 0.67 PIK3CD (0.33) PIK3R1PIK3CD

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