SCHEMBL19252652

SCHEMBL19252652

CC(Nc1ncnc(N)c1C#N)C1=Cc2ncccc2SN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.47
PIK3R1 P27986 16/20 0.47
PIK3CB P42338 8/20 0.46
PIK3CG P48736 8/20 0.46
PIK3CA P42336 7/20 0.46

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
SCHEMBL19251414 1.00 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251400 0.88 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252653 0.88 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252657 0.84 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251416 0.84 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252659 0.83 PIK3R1 (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252663 0.83 PIK3R1 (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252661 0.81 PIK3CD (0.53) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251613 0.81 PIK3CD (0.53) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252655 0.80 LMNA (0.35) 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