SCHEMBL12932286

SCHEMBL12932286

Nc1nc(N)c2ncn(C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.67
POLB P06746 2/20 0.65
ENPP1 P22413 5/20 0.58
P2RY1 P47900 3/20 0.58
P2RY6 Q15077 2/20 0.58
P2RX1 P51575 2/20 0.58
P2RX3 P56373 2/20 0.58
P2RY11 Q96G91 1/20 0.58
P2RX4 Q99571 1/20 0.58
P2RY12 Q9H244 1/20 0.56
P2RY2 P41231 1/20 0.56
P2RY4 P51582 1/20 0.56
RNASEL Q05823 1/20 0.55
P2RX2 Q9UBL9 1/20 0.54
IMPDH2 P12268 1/20 0.54
IMPDH1 P20839 1/20 0.54
GPR17 Q13304 1/20 0.53
PNP P00491 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL4820794 1.00 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL17117823 1.00 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL29400356 1.00 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL345288 1.00 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL15573313 0.93 NT5E (0.64) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL29642033 0.93 NT5E (0.64) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL3207372 0.91 NT5E (0.72) NT5EPOLBENPP1P2RY1P2RY11
SCHEMBL29808596 0.91 NT5E (0.72) NT5EPOLBENPP1P2RY1P2RY11
SCHEMBL17117807 0.91 NT5E (0.72) NT5EPOLBENPP1P2RY1P2RY11
2-Chlorodeoxyadenosine Triphosphate SCHEMBL1064487 0.91 NT5E (0.78) NT5EPOLBENPP1P2RY1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870872-B2 Enzymatic nucleic acid synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-22 US disclosed
US-10745814-B2 Enzymatic nucleic acid synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-08-18 US disclosed
US-20190145013-A1 Enzymatic Nucleic Acid Synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-05-16 US disclosed
US-20190112626-A1 Enzymatic Nucleic Acid Synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-04-18 US disclosed
US-20170275672-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2017-09-28 US disclosed
US-20170275672-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2017-09-28 US disclosed
US-9631227-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2017-04-25 US disclosed
US-9631227-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2017-04-25 US disclosed
US-20140323354-A1 Chemically Modified Ligase Cofactors, Donors and Acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2014-10-30 US disclosed
US-20140323354-A1 Chemically Modified Ligase Cofactors, Donors and Acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2014-10-30 US disclosed
WO-2014144979-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2014-09-18 WO disclosed
US-8728725-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES (US) 2014-05-20 US disclosed
US-8728725-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES (US) 2014-05-20 US disclosed
US-20110008788-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TriLink Bio Technologies 2011-01-13 US disclosed
US-20110008788-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TriLink Bio Technologies 2011-01-13 US disclosed
WO-2011005762-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES (US) 2011-01-13 WO disclosed