SCHEMBL4789273

SCHEMBL4789273

CN1CCC(N)CC1(C)Cc1ccc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.59
PIK3CA P42336 6/20 0.49
MTOR P42345 1/20 0.49
PIK3CD O00329 7/20 0.48
BRAF P15056 1/20 0.48
PIK3CB P42338 5/20 0.46
PIK3CG P48736 5/20 0.46

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
SCHEMBL360996 0.78 PIK3CD (0.69) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL4789276 0.77 ATR (0.60) ATRPIK3CAMTORPIK3CDBRAF
SCHEMBL4788956 0.77 ATR (0.61) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL4754666 0.76 PIK3CA (0.65) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL13982278 0.76 ATR (0.58) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL13982352 0.75 ATR (0.61) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL13982550 0.75 ATR (0.59) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL13982389 0.73 ATR (0.59) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL13982546 0.73 PIK3CA (0.55) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL4789560 0.70 PIK3CD (0.53) ATRPIK3CAMTORPIK3CDPIK3CB

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