SCHEMBL9503635

SCHEMBL9503635

Nc1nc2c(c(=O)[nH]1)NC(N)N2Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNP P00491 9/20 0.47
TYMS P04818 1/20 0.44
NOS1 P29475 1/20 0.41
HPRT1 P00492 1/20 0.41
QTRT1 Q9BXR0 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL10505548 0.89 TYMS (0.46) PNPTYMSHPRT1XDH
SCHEMBL10506793 0.88 TYMS (0.40) PNPTYMSHPRT1XDH
SCHEMBL10510230 0.88 TYMS (0.46) PNPTYMSNOS1HPRT1
SCHEMBL10385954 0.87 PNP (0.44) PNPHPRT1
SCHEMBL2128394 0.86 HPRT1 (0.49) PNPTYMSNOS1HPRT1QTRT1
SCHEMBL10507792 0.84 TYMS (0.50) PNPTYMSHPRT1QTRT1XDH
SCHEMBL10508808 0.84 HPRT1 (0.38) PNPTYMSNOS1HPRT1
SCHEMBL10506525 0.83 MTNR1A (0.47) PNPTYMSXDH
SCHEMBL10644971 0.83 HPRT1 (0.38) PNPTYMSNOS1HPRT1
SCHEMBL10915999 0.83 PNP (0.43) PNPNOS1HPRT1

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 15 patents. 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
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-0550574-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992005180-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed
US-5051429-A For treatment of autoimmune diseases such as arthritis, lupus, antiinflammatory agents, multiple sclerosis, diabetes and viral diseases WARNER-LAMBERT CO. (US) 1991-09-24 US 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
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