SCHEMBL12166258

SCHEMBL12166258

COCCN1CCC(N(C)Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N)c3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.53
PIK3CD O00329 18/20 0.53
PIK3CB P42338 17/20 0.53
PIK3CG P48736 17/20 0.53

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
SCHEMBL190835 0.88 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166375 0.82 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL191037 0.78 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166267 0.77 PIK3CD (0.61) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1088290 0.77 PIK3CD (0.77) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166255 0.77 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1088308 0.76 PIK3CD (0.76) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL189436 0.75 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL190690 0.74 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1088332 0.74 PIK3CA (0.84) PIK3CAPIK3CDPIK3CBPIK3CG

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