SCHEMBL7093006

SCHEMBL7093006

CN(CC(=O)c1ccc(N2CCOCC2)cc1O)Cc1ccccc1.O=C(c1ccc(N2CCOCC2)cc1O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.49
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
AOC3 Q16853 5/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
RORC P51449 3/20 0.40
NAPEPLD Q6IQ20 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL5054645 0.92 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058355 0.81 PRKDC (0.66) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5065308 0.80 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7093007 0.77 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11921365 0.77 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7091138 0.76 AOC3 (0.46) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058546 0.76 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5059642 0.75 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054855 0.74 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7094434 0.74 PRKDC (0.44) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed