SCHEMBL6423600

SCHEMBL6423600

Cc1nc(N)c2nc(C)c(=O)[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.40
CASP6 P55212 1/20 0.40
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PNP P00491 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PARP1 P09874 1/20 0.30
CYP1A2 P05177 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5612938 0.76 NSD2 (0.39) NSD2CASP6ALDH1A1L3MBTL1LMNA
SCHEMBL4239753 0.76 PNP (0.34) ALDH1A1LMNAKDM4EGLAPMP22
SCHEMBL20564 0.76 ADORA3 (0.38) ALDH1A1L3MBTL1KDM4EMAPTPARP1
SCHEMBL29819457 0.76 KDM4E (0.51) NSD2CASP6ALDH1A1LMNAKDM4E
SCHEMBL3916442 0.73 ADORA1 (0.30)
SCHEMBL12726686 0.73 CSNK2A2 (0.33) ALDH1A1LMNAKDM4EMAPTGAA
SCHEMBL13522498 0.73 ADORA1 (0.30)
SCHEMBL10121590 0.70 ADORA3 (0.32)
SCHEMBL5489090 0.69 NSD2 (0.36) NSD2CASP6ALDH1A1L3MBTL1KDM4E
SCHEMBL15695429 0.67 PIK3CA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112281-B1 PTERIDINE NUCLEOTIDE ANALOGS US GOV HEALTH & HUMAN SERV (US) 2005-11-23 EP disclosed
US-6716971-B1 CAN BE USED IN THE CHEMICAL SYNTHESIS OF FLUORESCENT OLIGONUCLEOTIDE. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-04-06 US disclosed
EP-1112281-A1 PTERIDINE NUCLEOTIDE ANALOGS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the Secretary of the Department of Health and Human Services (US) 2001-07-04 EP disclosed
WO-2000014101-A1 PTERIDINE NUCLEOTIDE ANALOGS THE GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-03-16 WO disclosed