SCHEMBL14009653

SCHEMBL14009653

NCCCCCC(=O)NCCCCCC(=O)NCC#Cc1cn([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 4/20 0.39
AURKA O14965 2/20 0.35
P2RX3 P56373 3/20 0.35
EP300 Q09472 2/20 0.35
P2RX1 P51575 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
CHAT P28329 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
NAA50 Q9GZZ1 1/20 0.35
P2RX4 Q99571 2/20 0.34
CA2 P00918 1/20 0.34
FGFR2 P21802 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
SCHEMBL29592014 0.86 PLCD1 (0.44)
SCHEMBL23346363 0.85 POLG (0.45)
SCHEMBL22858568 0.84 P2RX3 (0.42) P2RX3P2RX1P2RX2P2RX4
SCHEMBL21191413 0.84 P2RX3 (0.42) P2RX3P2RX1P2RX2P2RX4
SCHEMBL20417316 0.84 POLB (0.42) AURKAP2RX3EP300P2RX1P2RX2
SCHEMBL20417307 0.84 POLB (0.42) AURKAP2RX3EP300P2RX1P2RX2
SCHEMBL16152183 0.83 POLB (0.46) P2RX3P2RX1P2RX2CA2
SCHEMBL13654889 0.82 NAA50 (0.33) AURKAEP300CHATKAT5NAA50
SCHEMBL13670363 0.81 P2RX3 (0.36) P2RX3P2RX1P2RX2CHATP2RX4
SCHEMBL23346380 0.81 POLB (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452698-B2 Terminal phosphate blocked nucleoside polyphosphates GE HEALTHCARE BIO-SCIENCES CORP. (US) 2008-11-18 US disclosed
US-20070292879-A1 TERMINAL PHOSPHATE BLOCKED NUCLEOSIDE POLYPHOSPHATES GE HEALTHCARE BIO-SCIENCES CORP. (US) 2007-12-20 US disclosed
US-7256019-B2 Terminal phosphate blocked nucleoside polyphosphates GE HEALTHCARE BIO-SCIENCES CORP. (US) 2007-08-14 US disclosed