SCHEMBL28839996

SCHEMBL28839996

C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1cc(F)cc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.64
PIK3R1 P27986 2/20 0.42
PIK3CG P48736 4/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40

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
SCHEMBL17461939 0.90 PIK3CD (0.62) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL17458193 0.90 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL17458195 0.90 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL17458177 0.88 PIK3CD (0.69) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL15816133 0.86 PIK3CD (0.47) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL15816135 0.86 PIK3CD (0.47) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL15815823 0.85 PIK3CD (0.53) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL15815824 0.85 PIK3CD (0.53) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL15817655 0.85 PIK3CD (0.49) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA
SCHEMBL15817653 0.85 PIK3CD (0.49) PIK3CDPIK3R1PIK3CGPIK3R2PIK3CA

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
CN-106459008-A Phosphatidylinositol 3-kinase inhibitors 吉利德科学公司 2017-02-22 CN disclosed