SCHEMBL12166255

SCHEMBL12166255

CN1CCC(N(C)Cc2cc3nc(-c4cccc5[nH]ncc45)nc(NCCO)c3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.49
PIK3CD O00329 16/20 0.49
PIK3CB P42338 15/20 0.49
PIK3CG P48736 15/20 0.49

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
SCHEMBL12166298 0.91 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166269 0.88 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL191037 0.82 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166366 0.81 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL23634757 0.79 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1620360 0.78 HDAC3 (0.45) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166278 0.77 ABCC4 (0.54) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166265 0.77 PIK3CD (0.56) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166258 0.77 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166246 0.76 PIK3CD (0.57) 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