SCHEMBL9665264

SCHEMBL9665264

Nc1nc2c(nc(N)n2Cc2cccs2)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 14/20 1.00
NOS1 P29475 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10642210 0.88 PNP (0.78) PNPNOS1
SCHEMBL9798141 0.88 PNP (0.78) PNPNOS1MEN1KMT2AKDM4E
SCHEMBL10643483 0.85 PNP (0.74) PNPMEN1KMT2AKDM4EUSP2
SCHEMBL9798219 0.80 PNP (0.67) PNPMEN1KMT2A
SCHEMBL6359274 0.79 PNP (1.00) PNPKDM4E
SCHEMBL10643888 0.79 PNP (0.65) PNPKDM4E
SCHEMBL9798131 0.79 PNP (0.65) PNPMEN1KMT2A
SCHEMBL9798103 0.79 PNP (0.66) PNPUSP2TSHRHSD17B10
SCHEMBL9798439 0.78 PNP (0.64) PNPMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL17186373 0.78 PNP (0.65) PNPUSP2TSHRHSD17B10

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 10 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
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
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US claimed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP claimed
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
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
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-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP disclosed