SCHEMBL8159976

SCHEMBL8159976

CCCC1CN(c2cc(=O)n3cccc(I)c3n2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.45
PIK3CD O00329 18/20 0.45
PIK3CA P42336 17/20 0.45
PIK3CG P48736 1/20 0.43
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL8171793 0.88 PIK3CA (0.54) PIK3CBPIK3CDPIK3CAPIK3CGMTOR
SCHEMBL8160997 0.78 PRKDC (0.64) PIK3CBPIK3CDPIK3CAMTORPRKDC
SCHEMBL13435574 0.75 PRKDC (0.66) PIK3CBPIK3CDPIK3CAPIK3CGMTOR
SCHEMBL13752231 0.69 PIK3CD (0.69) PIK3CBPIK3CDPIK3CAMTORPRKDC
SCHEMBL13597272 0.67 KDM4E (0.45)
SCHEMBL15176604 0.67 PIK3CD (0.46) PIK3CBPIK3CDPIK3CAPRKDC
SCHEMBL15174417 0.65 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPRKDC
SCHEMBL11634420 0.64 ADORA2A (0.37)
SCHEMBL13403480 0.64 PRKDC (0.64) PIK3CBPIK3CDPIK3CAMTORPRKDC
SCHEMBL13910529 0.63 GSK3B (0.66)

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-2008148074-A2 INHIBITORS OF MTOR AND METHODS OF TREATMENT USING SAME RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-12-04 WO disclosed