SCHEMBL8160997

SCHEMBL8160997

O=c1cc(N2CCOCC2)nc2c(I)cccn12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.64
MTOR P42345 1/20 0.64
PIK3CD O00329 17/20 0.64
PIK3CB P42338 17/20 0.64
PIK3CA P42336 16/20 0.64

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
SCHEMBL13403480 0.84 PRKDC (0.64) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13752231 0.84 PIK3CD (0.69) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13752230 0.81 PRKDC (0.64) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL8171793 0.80 PIK3CA (0.54) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL910160 0.79 PIK3CB (0.73) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL13752195 0.78 PIK3CD (0.69) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL8159976 0.78 PIK3CB (0.45) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL24713645 0.78 PRKDC (0.53) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL10092321 0.78 PRKDC (1.00) PRKDCMTORPIK3CDPIK3CBPIK3CA
SCHEMBL4544196 0.77 PRKDC (1.00) PRKDCMTORPIK3CDPIK3CBPIK3CA

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