SCHEMBL9021288

SCHEMBL9021288

CC(=O)Nc1nc(NC(C)=O)c2nc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ GDA Q9Y2T3 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ADORA3 P0DMS8 4/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ACHE P22303 2/20 0.36
▸ APP P05067 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALPL P05186 1/20 0.33

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
SCHEMBL16146526 0.84 ADORA3 (0.43) GDAPOLBADORA3ADORA1BRAF
SCHEMBL16146678 0.84 GDA (0.39) GDAADORA3BRAFALDH1A1L3MBTL1
SCHEMBL16146754 0.84 GDA (0.39) GDAADORA3BRAFALDH1A1L3MBTL1
SCHEMBL887124 0.84 CYP1A2 (0.40) CYP1A2GDAPOLBADORA3ADORA1
SCHEMBL16146723 0.83 GDA (0.38) GDAADORA3BRAFALDH1A1L3MBTL1
SCHEMBL16146641 0.83 GDA (0.38) GDABRAFALDH1A1L3MBTL1
SCHEMBL16146213 0.83 GDA (0.38) GDAADORA3BRAFALDH1A1L3MBTL1
SCHEMBL16145714 0.83 GDA (0.38) GDAADORA3BRAFALDH1A1L3MBTL1
SCHEMBL14196063 0.83 XDH (0.40) GDAPOLBBRAFL3MBTL1KDM4E
SCHEMBL17595245 0.83 CYP1A2 (0.39) CYP1A2GDAPOLBADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023140040-A1 AMIDITE MONOMER 国立大学法人東海国立大学機構 2023-07-27 — — WO disclosed
EP-0456817-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES ASH STEVENS INC (US) 1996-01-31 — — EP disclosed
US-5180824-A 6-AZIDO-2-FLUOROPURINE, USEFUL IN THE SYNTHESIS OF NUCLEOSIDES BERLEX BIOSCIENCES INC. (US) 1993-01-19 — — US disclosed
WO-1992009604-A1 6-AZIDO-2-FLUOROPURINE BERLEX BIOSCIENCES, INC. (US) 1992-06-11 — — WO disclosed
US-5110919-A Economical preparation of nucleosides ASH STEVENS, INC. (US) 1992-05-05 — — US disclosed
EP-0456817-A4 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES — 1992-04-22 — — EP disclosed
EP-0456817-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES. ASH STEVENS INC (US) 1991-11-21 — — EP disclosed
WO-1991008215-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES ASH STEVENS, INC. (US) 1991-06-13 — — WO disclosed
US-4210745-A Procedure for the preparation of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-07-01 — — US disclosed
US-4210745-A Procedure for the preparation of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-07-01 — — US disclosed
US-4188378-A Anticancer and antiviral activity of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-12 — — US disclosed
US-3992531-A 2-Substituted adenosine-5'-carboxylates in the treatment of anginal pain ABBOTT LABORATORIES (US) 1976-11-16 — — US disclosed
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