SCHEMBL19359663

SCHEMBL19359663

CS(=O)(=O)c1cccc2nc(C(Nc3nc(N)nc(N)c3C#N)C3CC3)n(C3C=CC=C3F)c(=O)c12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.72
PIK3R2 O00459 6/20 0.56
PIK3CG P48736 5/20 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
SCHEMBL17458098 0.83 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17458095 0.83 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17458057 0.83 PIK3CD (1.00) PIK3CDPIK3R2
SCHEMBL17458060 0.83 PIK3CD (1.00) PIK3CDPIK3R2
SCHEMBL17458047 0.83 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17461935 0.83 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17458044 0.83 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL23912374 0.80 PIK3CD (0.70) PIK3CDPIK3R2PIK3CG
SCHEMBL19941899 0.76 PIK3CD (0.72) PIK3CDPIK3CG
SCHEMBL15815362 0.74 PIK3CD (0.81) PIK3CDPIK3CG

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
US-9765060-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-09-19 US disclosed