SCHEMBL19252988

SCHEMBL19252988

CC(Nc1ncnc(N)c1C#N)C1=Nc2cccc(F)c2SN1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.65
PIK3R1 P27986 18/20 0.65
PIK3CB P42338 8/20 0.56
PIK3CG P48736 8/20 0.56
PIK3CA P42336 6/20 0.56

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
SCHEMBL19252618 1.00 PIK3CD (0.65) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252987 0.89 PIK3CD (0.65) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251626 0.89 PIK3CD (0.65) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251634 0.86 PIK3R1 (0.62) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252617 0.86 PIK3R1 (0.62) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251464 0.80 PIK3CD (0.58) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19252619 0.79 PIK3CD (0.68) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251399 0.79 PIK3R1 (1.00) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251608 0.79 PIK3CD (0.68) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL19251471 0.79 PIK3CD (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