SCHEMBL3797333

SCHEMBL3797333

CC(O)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=C3CN(C(=O)OC(C)(C)C)C3)n(C)c2n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.57
PIK3CA P42336 5/20 0.47
PIK3CB P42338 4/20 0.44
PIK3CG P48736 4/20 0.43
PIK3R1 P27986 1/20 0.42

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
SCHEMBL2675003 1.00 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2673768 1.00 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2673826 0.95 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2675111 0.91 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3796412 0.90 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2673958 0.89 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2674503 0.85 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2673391 0.84 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2673812 0.84 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3798507 0.84 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CG

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-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed