SCHEMBL14802148

SCHEMBL14802148

Cc1ccc2c(=O)c3c(OP=O)cc(N4CCOCC4)cc3oc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RY12 Q9H244 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14802147 0.84 PRKDC (0.40) PRKDCMEN1KMT2AP2RY12PIK3CD
SCHEMBL14802143 0.81 PRKDC (0.52) PRKDCMEN1KMT2APIK3CDPIK3CA
SCHEMBL14447676 0.73 PRKDC (0.37) PRKDCPIK3CDPIK3CBMAPT
SCHEMBL1938064 0.71 SLC16A3 (0.51) PRKDCMEN1KMT2APIK3CDPIK3CA
SCHEMBL14802149 0.71 KDM4E (0.47) PRKDCMEN1KMT2AMAPTLMNA
SCHEMBL14802157 0.71 PRKDC (0.50) PRKDCMEN1KMT2AMAPTKDM4E
SCHEMBL5444190 0.70 PRKDC (0.56) PRKDCMAPTGAA
SCHEMBL5440694 0.70 PRKDC (0.55) PRKDCMEN1KMT2AMAPTKDM4E
SCHEMBL5781920 0.69 PRKDC (0.53) PRKDCPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL5441394 0.69 PRKDC (0.50) PRKDCPIK3CDPIK3CAPIK3CBMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed