SCHEMBL7090867

SCHEMBL7090867

CNC(=O)c1ccc(N2CCOCC2)cc1O.COC(=O)c1ccc(N2CCOCC2)cc1O.NC(=O)c1ccc(N2CCOCC2)cc1O.O=C(NCc1ccccc1)c1ccc(N2CCOCC2)cc1O.O=C(c1ccc(N2CCOCC2)cc1O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CG P48736 1/20 0.46
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
HTR6 P50406 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.40
STAT6 P42226 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
AURKA O14965 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5063561 0.82 PRKDC (0.62) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL7090447 0.76 PRKDC (0.56) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL5054826 0.74 PRKDC (0.72) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL5058382 0.74 PRKDC (0.72) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL5059642 0.72 PRKDC (0.71) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL5058532 0.72 PRKDC (0.55) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL11921365 0.71 PRKDC (0.68) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL4992024 0.71 PRKDC (0.73) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL17774907 0.71 JAK2 (0.58) KLKB1KLK1JAK2JAK1TYK2
SCHEMBL7089916 0.71 GAA (0.63) PRKDCPIK3CBPIK3CAPIK3CDPIK3CG

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