SCHEMBL14802147

SCHEMBL14802147

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
P2RY12 Q9H244 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
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
SCHEMBL14802148 0.84 PRKDC (0.41) PRKDCMEN1KMT2AMAPTLMNA
SCHEMBL14802143 0.81 PRKDC (0.52) PRKDCMEN1KMT2AMAPTPIK3CD
SCHEMBL14447676 0.79 PRKDC (0.37) PRKDCMAPTPIK3CDPIK3CB
SCHEMBL14468581 0.74 PRKDC (0.38) PRKDCMAPTP2RY12
SCHEMBL14802150 0.74 PRKDC (0.48) PRKDCMAPTKDM4EGAAHPGD
SCHEMBL14447675 0.73 PRKDC (0.49) PRKDCMAPTKDM4EGAAHPGD
SCHEMBL14802155 0.73 MAOA (0.49) PRKDC
SCHEMBL5451016 0.72 PRKDC (0.41) PRKDCMEN1KMT2AP2RY12
SCHEMBL14802154 0.71 PRKDC (0.46) PRKDCP2RY12
SCHEMBL1938064 0.70 SLC16A3 (0.51) PRKDCMEN1KMT2AMAPTPIK3CD

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