SCHEMBL7936200

SCHEMBL7936200

C[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc2c1CN(S(C)(=O)=O)C2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.60
PIK3R1 P27986 7/20 0.53
PIK3CD O00329 3/20 0.53
PIK3C2A O00443 1/20 0.53
BRAF P15056 1/20 0.53
FKBP1A P62942 1/20 0.53
PIK3CA P42336 9/20 0.49
RPTOR Q8N122 6/20 0.49
MLST8 Q9BVC4 6/20 0.49
RICTOR Q6R327 5/20 0.49
MAPKAP1 Q9BPZ7 5/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3C3 Q8NEB9 2/20 0.49
CYP3A4 P08684 2/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL413932 0.86 MTOR (0.54) MTORPIK3R1PIK3CDPIK3CARPTOR
SCHEMBL443148 0.86 MTOR (0.54) MTORPIK3R1PIK3CDPIK3CARPTOR
SCHEMBL443968 0.83 MTOR (0.58) MTORPIK3R1PIK3CDPIK3CARPTOR
SCHEMBL2708323 0.83 MTOR (0.55) MTORPIK3R1PIK3CDPIK3CARPTOR
SCHEMBL2708328 0.83 MTOR (0.55) MTORPIK3R1PIK3CDPIK3CARPTOR
SCHEMBL15196028 0.82 MTOR (0.51) MTORPIK3R1PIK3CDPIK3CARPTOR
SCHEMBL1831431 0.82 MTOR (0.88) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL441373 0.82 MTOR (0.88) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL441374 0.82 MTOR (0.88) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL1833942 0.81 MTOR (0.67) MTORPIK3R1PIK3CDPIK3C2ABRAF

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-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed