SCHEMBL7094345

SCHEMBL7094345

CN(C)CCCNC(=O)c1ccc(N2CCOCC2)cc1O.CONC(=O)c1ccc(N2CCOCC2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.50
ALDH1A1 P00352 3/20 0.48
FLT3 P36888 1/20 0.46
KDM4E B2RXH2 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
MTOR P42345 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTR1B P28222 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5059591 0.93 PRKDC (0.57) PRKDCALDH1A1FLT3KDM4EPIK3CA
SCHEMBL5058586 0.85 PRKDC (0.67) PRKDCALDH1A1KDM4EPIK3CAPIK3CD
SCHEMBL5058582 0.81 PRKDC (0.61) PRKDCALDH1A1KDM4EPIK3CAPIK3CD
SCHEMBL11921366 0.77 PRKDC (0.61) PRKDCALDH1A1KDM4EPIK3CAPIK3CD
SCHEMBL5054620 0.75 PRKDC (0.58) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL5054845 0.73 PRKDC (0.61) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL5058382 0.73 PRKDC (0.72) PRKDCALDH1A1KDM4EPIK3CAPIK3CD
SCHEMBL5054826 0.73 PRKDC (0.72) PRKDCALDH1A1KDM4EPIK3CAPIK3CD
SCHEMBL5058550 0.71 PRKDC (0.69) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL5054595 0.71 PRKDC (0.65) PRKDCALDH1A1KDM4EPIK3CAPIK3CD

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