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Sugi Predict / Compounds / SCHEMBL3665396

SCHEMBL3665396

SCHEMBL3665396

CN(Cc1nc(-c2cccc3[nH]ccc23)cc(N2CCOCC2)n1)Cc1cccs1.c1ccc(CN2CCC(Nc3nc(-c4cccc5[nH]ccc45)cc(N4CCOCC4)n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.45
▸ MTOR P42345 2/20 0.45
▸ PIK3CD O00329 15/20 0.42
▸ PIK3CB P42338 10/20 0.41
▸ PIK3CG P48736 10/20 0.41
▸ ATR Q13535 2/20 0.39
▸ PRKDC P78527 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
SCHEMBL3603228 0.88 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3604026 0.86 PIK3CD (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3599595 0.72 PIK3CD (0.52) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3604924 0.71 PIK3CD (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3612884 0.70 PIK3CD (0.57) PIK3CAMTORPIK3CDATRPRKDC
SCHEMBL3604024 0.70 ATR (0.49) PIK3CAMTORPIK3CDATRPRKDC
SCHEMBL3599734 0.69 ATR (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13142276 0.69 PIK3CD (0.60) PIK3CAMTORPIK3CDATRPRKDC
SCHEMBL3610132 0.69 PIK3CD (0.53) PIK3CAMTORPIK3CDATRPRKDC
SCHEMBL3602197 0.68 KMT2A (0.44) PIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 — — EP claimed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 — — WO claimed