SCHEMBL7090447

SCHEMBL7090447

O=C(NCc1ccccc1)c1ccc(N2CCOCC2)cc1O.O=C(Nc1ccccc1)c1ccc(N2CCOCC2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.56
PIK3CD O00329 1/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
KDM4E B2RXH2 2/20 0.50
HIF1A Q16665 1/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
LRRK2 Q5S007 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 1/20 0.49
ABCB1 P08183 1/20 0.48

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
SCHEMBL5063561 0.94 PRKDC (0.62) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5059683 0.90 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058532 0.83 PRKDC (0.55) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17774907 0.79 JAK2 (0.58) SMN1; SMN2MAPTJAK2JAK1TYK2
SCHEMBL5065271 0.79 MAPT (0.65) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054845 0.79 PRKDC (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5065220 0.78 L3MBTL1 (0.55) SMN1; SMN2MAPTJAK2JAK1TYK2
SCHEMBL5058430 0.78 SMN1; SMN2 (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7090867 0.76 PRKDC (0.46) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18553757 0.76 CCNC (0.53) 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