SCHEMBL7094436

SCHEMBL7094436

CN1CCN(C(=O)c2ccc(N3CCOCC3)cc2O)CC1.O=C(Cn1ccnc1)c1ccc(N2CCOCC2)cc1O.O=C(c1ccc(N2CCOCC2)cc1O)N1CCCC1.O=C(c1ccccc1)N1CCC(N2CCOCC2)CC1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.39
PIK3CG P48736 6/20 0.39
PIK3CD O00329 5/20 0.39
PIK3CB P42338 5/20 0.39
PRKDC P78527 3/20 0.39
NAMPT P43490 1/20 0.34
ROCK2 O75116 1/20 0.33
L3MBTL3 Q96JM7 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
PIK3R2 O00459 4/20 0.32
PIK3R5 Q8WYR1 4/20 0.32
PIK3R3 Q92569 4/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAD52 P43351 1/20 0.32
HPGDS O60760 1/20 0.32
TP53BP1 Q12888 1/20 0.32

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
SCHEMBL7094434 0.84 PRKDC (0.44) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL7093007 0.77 PRKDC (0.45) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL5063532 0.74 PRKDC (0.55) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL5054855 0.69 PRKDC (0.67) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL5058361 0.69 L3MBTL1 (0.51) L3MBTL3L3MBTL1ALDH1A1ACACBACACA
SCHEMBL7093006 0.66 PRKDC (0.49) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL5065308 0.66 PRKDC (0.68) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL11921365 0.65 PRKDC (0.68) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL5058355 0.65 PRKDC (0.66) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL5059642 0.62 PRKDC (0.71) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC

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