SCHEMBL4789560

SCHEMBL4789560

CC(C)(C)OC(=O)N1C2CCC1CN(Cc1ccc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3c1)C2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.53
PIK3CA P42336 16/20 0.52
PIK3CB P42338 15/20 0.52
PIK3CG P48736 15/20 0.52
ATR Q13535 1/20 0.51
MTOR P42345 1/20 0.51

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
SCHEMBL4788956 0.82 ATR (0.61) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL13982367 0.82 SMN1; SMN2 (0.42) PIK3CAPIK3CGATRMTOR
SCHEMBL13982278 0.82 ATR (0.58) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL13982550 0.81 ATR (0.59) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL4754666 0.80 PIK3CA (0.65) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL13982546 0.80 PIK3CA (0.55) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL360996 0.79 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL13982352 0.78 ATR (0.61) PIK3CDPIK3CAPIK3CBPIK3CGATR
SCHEMBL390171 0.75 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13982389 0.75 ATR (0.59) PIK3CDPIK3CAPIK3CBPIK3CGATR

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-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed