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Sugi Predict / Compounds / SCHEMBL14820596

SCHEMBL14820596

SCHEMBL14820596

[N-]=[N+]=NCO[C@@H]1C[C@H](n2cc(C#CCNC(=O)COCCOC(COc3cccc(C(=O)NCCN)c3)N=[N+]=[N-])c3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.34
▸ P2RX3 P56373 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ NADK O95544 2/20 0.31

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
SCHEMBL17523546 1.00 CA2 (0.34) CA2P2RX3P2RX4P2RX2NADK
SCHEMBL14806825 1.00 CA2 (0.34) CA2P2RX3P2RX4P2RX2NADK
SCHEMBL24518381 0.96 CA2 (0.34) CA2
SCHEMBL25541258 0.96 CA2 (0.33) CA2P2RX3P2RX4P2RX2NADK
SCHEMBL21022513 0.95 CA2 (0.33) CA2P2RX3
SCHEMBL21123041 0.94 CA2 (0.35) CA2P2RX3P2RX4P2RX2NADK
SCHEMBL17636632 0.94 CA2 (0.32) CA2
SCHEMBL17227477 0.94 CA2 (0.33) CA2NADK
SCHEMBL20088485 0.93 CA2 (0.36) CA2
SCHEMBL18412182 0.93 CA2 (0.34) CA2P2RX3P2RX4P2RX2NADK

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
EP-2768972-B1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID SEQUENCING ILLUMINA INC (US) 2017-07-12 — — EP disclosed
US-9453258-B2 Methods and compositions for nucleic acid sequencing ILLUMINA, INC. (US) 2016-09-27 — — US disclosed
US-20130079232-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID SEQUENCING ILLUMINA, INC. (US) 2013-03-28 — — US disclosed
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