SCHEMBL27979008

SCHEMBL27979008

Cn1c(CN2CCC(CCC=O)CC2)nc2c(N3CCOCC3)nc(-n3c(C4CC4)nc4ccccc43)nc21

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.76
PIK3CB P42338 2/20 0.62
PIK3CG P48736 2/20 0.61
PIK3CA P42336 3/20 0.57

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
SCHEMBL27979174 0.88 PIK3CD (0.67) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2674915 0.87 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2675330 0.86 PIK3CD (0.81) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2674043 0.86 PIK3CD (0.81) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2675049 0.86 PIK3CD (0.81) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL3719427 0.85 PIK3CD (0.78) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2673552 0.84 PIK3CD (0.80) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2674290 0.84 PIK3CD (0.74) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2673442 0.84 PIK3CD (0.94) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2674547 0.84 PIK3CD (0.79) PIK3CDPIK3CBPIK3CGPIK3CA

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-102459272-B Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH INC 2014-08-06 CN disclosed