SCHEMBL6359274

SCHEMBL6359274

Nc1nc2c(nc(N)n2Cc2ccccc2)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNP P00491 13/20 1.00
TYMS P04818 1/20 0.56
XDH P47989 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DHFR P00374 2/20 0.46
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL10505540 0.88 PNP (0.78) PNPTYMSXDH
SCHEMBL2128391 0.86 PNP (0.76) PNPTYMSXDHDHFRTLR7
SCHEMBL10506332 0.86 PNP (0.76) PNPTYMSXDHDHFR
SCHEMBL10505790 0.86 PNP (0.76) PNPTYMS
SCHEMBL7663884 0.86 PNP (0.76) PNPTYMSXDHKDM4EDHFR
SCHEMBL9798404 0.86 PNP (0.75) PNPTYMSTLR7
Hydrochloric Acid SCHEMBL10664096 0.85 PNP (0.74) PNPTYMS
SCHEMBL10507779 0.83 PNP (0.71) PNPTYMSXDHKDM4ETLR7
SCHEMBL6356585 0.83 PNP (0.71) PNPTYMSXDHKDM4ERAB9A
SCHEMBL27602651 0.83 PNP (0.71) PNPTYMSXDHDHFRTLR7

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0374096-B1 COMBINATION THERAPY INVOLVING 2',3'-DIDEOXYPURINE NUCLEOSIDE AND AN INHIBITOR OF PURINE NUCLEOSIDE PHOSPHORYLASE, AND ITS COMPOSITIONS CIBA-GEIGY AG (CH) 1992-12-02 EP claimed
EP-0374096-A1 Combination therapy involving 2',3'-dideoxypurine nucleoside and an inhibitor of purine nucleoside phosphorylase, and its compositions CIBA-GEIGY AG (CH) 1990-06-20 EP claimed
JP-2204414-A None JP disclosed
US-20220211710-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH NUCLEOSIDE-METABOLISM MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-07-07 US disclosed
WO-2021022105-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH NUCLEOSIDE-METABOLISM MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-04 WO disclosed
EP-1518854-A1 Substituted 06- benzylguanines and 7- or 9- substituted 8-aza-06-benzylguanines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2005-03-30 EP disclosed
US-6436945-B2 FOR ENHANCING THE CHEMOTHERAPEUTIC TREATMENT OF TUMOR CELLS IN A MAMMAL WITH AN ANTINEOPLASTIC ALKYLATING AGENT, WHICH CAUSES CYTOTOXIC LESIONS AT THE O6-POSITION OF GUANINE; O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) INACTIVATOR THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF HEALTH AND HUMAN SERVICES 2002-08-20 US disclosed
US-6333331-B1 USEFUL IN INACTIVATING THE HUMAN DNA REPAIR PROTEIN O.SUP.6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE; ANTICANCER AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-12-25 US disclosed
EP-0550574-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
EP-0374096-B1 COMBINATION THERAPY INVOLVING 2',3'-DIDEOXYPURINE NUCLEOSIDE AND AN INHIBITOR OF PURINE NUCLEOSIDE PHOSPHORYLASE, AND ITS COMPOSITIONS CIBA-GEIGY AG (CH) 1992-12-02 EP disclosed
WO-1992005180-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed
US-4952693-A TREATING AUTOIMMUNE DISEASES WARNER-LAMBERT COMPANY (US) 1990-08-28 US disclosed
JP-H02204414-A COMBINATIONAL THERAPY USING 2',3'-DIDEOXYPURINENUCLEOSIDE/ PURINENUCLEOSIDE PHOSPHORYLASE INHIBITOR AND COMPOSITION CIBA GEIGY AG 1990-08-14 JP disclosed
EP-0374096-A1 Combination therapy involving 2',3'-dideoxypurine nucleoside and an inhibitor of purine nucleoside phosphorylase, and its compositions CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4874862-A Process for preparing guanine derivatives WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
EP-0156559-B1 8-SUBSTITUTED GUANINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-08-02 EP disclosed
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
US-4748177-A Guanine derivatives WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP disclosed
EP-0156559-A2 8-Substituted guanine derivatives WARNER-LAMBERT COMPANY (US) 1985-10-02 EP disclosed