SCHEMBL7094434

SCHEMBL7094434

CN1CCN(C(=O)c2ccc(N3CCOCC3)cc2O)CC1.O=C(Cn1ccnc1)c1ccc(N2CCOCC2)cc1O.O=C(c1ccc(N2CCOCC2)cc1O)N1CCCC1.O=C(c1ccc(N2CCOCC2)cc1O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
ALPG P10696 2/20 0.37
ALPI P09923 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PLAA Q9Y263 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CYP17A1 P05093 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP21A2 P08686 1/20 0.37
TP53BP1 Q12888 1/20 0.36

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
SCHEMBL5063532 0.86 PRKDC (0.55) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7094436 0.84 PIK3CA (0.39) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054855 0.80 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058355 0.78 PRKDC (0.66) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5065308 0.77 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7093006 0.74 PRKDC (0.49) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5059642 0.72 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11921365 0.70 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058436 0.69 PRKDC (0.66) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063514 0.68 PRKDC (0.72) 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