SCHEMBL7093007

SCHEMBL7093007

CN(CC(=O)c1ccc(N2CCOCC2)cc1O)Cc1ccccc1.O=C(c1ccccc1)N1CCC(N2CCOCC2)CC1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
RORC P51449 4/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
STAT3 P40763 1/20 0.35
AOC3 Q16853 7/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PDK1 Q15118 1/20 0.34
PRCP P42785 1/20 0.34

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 0.83 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7093006 0.77 PRKDC (0.49) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7094436 0.77 PIK3CA (0.39) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058361 0.75 L3MBTL1 (0.51) KDM4EALDH1A1KMT2APRCP
SCHEMBL5058546 0.69 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3210718 0.65 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31294387 0.65 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063514 0.64 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7090207 0.64 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063516 0.64 PRKDC (0.71) 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