SCHEMBL7892121

SCHEMBL7892121

COc1ccn2c(-c3nc(C)nc(N)n3)c(NC3=NNCC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.47
MTOR P42345 20/20 0.47
PIK3CB P42338 2/20 0.45
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL755541 0.80 PIK3CA (0.48) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL755349 0.74 PIK3CA (0.42) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL2787446 0.72 PIK3CA (0.45) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL2787076 0.67 PIK3CA (0.48) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL756452 0.67 PIK3CA (0.42) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL753251 0.67 PIK3CA (0.50) PIK3CAMTORPIK3CB
SCHEMBL16161614 0.65 PIK3CA (0.46) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL2772334 0.64 PIK3CA (0.56) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL752349 0.64 PIK3CA (0.65) PIK3CAMTORPIK3CB
SCHEMBL11026374 0.64 PIK3CA (0.69) PIK3CAMTORPIK3CBPIK3CDPIK3CG

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-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO disclosed