SCHEMBL7943111

SCHEMBL7943111

C[C@H]1COCCN1c1nc(Cl)nc2c1CCn1nc(N)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.44
MTOR P42345 13/20 0.44
RPTOR Q8N122 12/20 0.44
MLST8 Q9BVC4 12/20 0.44
PIK3R1 P27986 16/20 0.43
RICTOR Q6R327 9/20 0.43
MAPKAP1 Q9BPZ7 9/20 0.43
PIK3CD O00329 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
PIK3C3 Q8NEB9 3/20 0.42

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
SCHEMBL10221494 0.86 MTOR (0.39) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL2625399 0.86 MTOR (0.41) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL2625402 0.85 MTOR (0.39) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL2632857 0.84 MTOR (0.40) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL2625403 0.80 PIK3R1 (0.44) PIK3CAMTORPIK3R1
SCHEMBL2625358 0.75 MTOR (0.41) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL10289943 0.75 MTOR (0.63) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL2632644 0.74 MTOR (0.41) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL7944537 0.74 MTOR (0.64) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL2625391 0.74 MTOR (0.46) PIK3CAMTORRPTORMLST8PIK3R1

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