SCHEMBL2576576

SCHEMBL2576576

CC1(C)CN(Cc2cc3nc(-n4ncc5ccccc54)nc(N4CCOCC4)c3s2)CCN1S(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.64
PIK3CA P42336 8/20 0.55
PIK3R1 P27986 1/20 0.55
PIK3CB P42338 5/20 0.48
PIK3CG P48736 5/20 0.48

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
SCHEMBL31614746 0.88 PIK3CA (0.73) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL14257549 0.86 PIK3CD (0.71) PIK3CDPIK3CAPIK3R1
SCHEMBL190063 0.81 PIK3CA (0.58) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2674814 0.78 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL191085 0.76 PIK3CA (0.79) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL190336 0.73 PIK3CD (0.86) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2739067 0.72 PIK3CA (0.74) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL190242 0.72 PIK3CD (0.73) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1680075 0.71 PIK3CD (0.79) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2573412 0.70 PIK3CD (0.58) PIK3CDPIK3CAPIK3CB

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
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed