SCHEMBL8764444

SCHEMBL8764444

Nc1nc(N)c2ncn([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.70
▸ HTR1A P08908 1/20 0.56
▸ ADORA2A P29274 6/20 0.52
▸ ADORA2B P29275 4/20 0.52
▸ HINT1 P49773 1/20 0.50
▸ BCHE P06276 1/20 0.49
▸ ADORA3 P0DMS8 4/20 0.46
▸ ADORA1 P30542 4/20 0.46
▸ NT5E P21589 1/20 0.45

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
SCHEMBL750344 0.91 PDE2A (0.72) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL5961364 0.87 PDE2A (0.64) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL11427985 0.87 PDE2A (0.64) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL11121799 0.84 PDE2A (0.59) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL11420439 0.83 PDE2A (0.61) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL6306348 0.83 PDE2A (0.61) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL6306351 0.83 PDE2A (0.61) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL9097705 0.83 PDE2A (0.70) PDE2AHTR1ABCHEADORA3NT5E
SCHEMBL11126005 0.82 PDE2A (0.56) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL14429057 0.81 PDE2A (0.59) PDE2AHTR1ABCHEADORA3ADORA1

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
JP-6065281-A — — None — — JP disclosed
JP-7138280-A — — None — — JP disclosed
EP-0461407-B1 Improved process for the preparation of 2-amino(2,3,5-tri-O-benzyl-beta-D-arabinofuranosyl)adenine ASH STEVENS INC (US) 1997-07-30 — — EP disclosed
JP-H07138280-A PRODUCTION OF 9-BETA-D-ARABINOFURANOSYL-2-FLUOROADENINE ASH STEVENS INC 1995-05-30 — — JP disclosed
JP-H0665281-A IMPROVEMENT OF PREPARATION OF 2-AMINO(2,3,5-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE ASH STEVENS INC 1994-03-08 — — JP disclosed
US-5180824-A 6-AZIDO-2-FLUOROPURINE, USEFUL IN THE SYNTHESIS OF NUCLEOSIDES BERLEX BIOSCIENCES INC. (US) 1993-01-19 — — US disclosed
US-5110919-A Economical preparation of nucleosides ASH STEVENS, INC. (US) 1992-05-05 — — US disclosed
EP-0461407-A1 Improved process for the preparation of 2-amino(2,3,5-tri-O-benzyl-beta-D-arabinofuranosyl)adenine ASH STEVENS, INC. (US) 1991-12-18 — — EP 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-4081534-A Amino purine nucleosides as autoimmune suppressant agents BURROUGHS WELLCOME CO. (US) 1978-03-28 — — US disclosed
US-4038479-A AMINO PURINE DERIVATIVES BURROUGHS WELLCOME CO. (US) 1977-07-26 — — US disclosed
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