SCHEMBL2711565

SCHEMBL2711565

CC1(C)OCc2c(N3CCOCC3)nc(-c3ccc4ocnc4c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.43
PIK3CA P42336 5/20 0.41
PIK3CD O00329 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CB P42338 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL2708281 0.92 MTOR (0.43) MTORPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL2707460 0.83 PIK3CA (0.60) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2728259 0.81 MTOR (0.47) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2726275 0.80 MTOR (0.51) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2708261 0.80 PIK3CA (0.49) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL985243 0.79 MTOR (0.51) MTORALDH1A1HIF1A
SCHEMBL2707251 0.79 MTOR (0.42) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2709295 0.78 MTOR (0.57) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2727127 0.77 GRIA1 (0.47) MTORPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL2708734 0.77 MTOR (0.42) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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-2445346-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2012-05-02 EP claimed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 WO claimed