SCHEMBL7688918

SCHEMBL7688918

Nc1nc2c(ncn2C[C]=O)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.61
TK1 P04183 2/20 0.61
BLM P54132 2/20 0.60
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
EDNRA P25101 1/20 0.60
HTR2A P28223 1/20 0.60
RECQL P46063 1/20 0.60
HBB P68871 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
NFKB1 P19838 1/20 0.57
VCP P55072 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
HPRT1 P00492 8/20 0.56

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
SCHEMBL3428512 0.87 PNP (0.60) PNPTK1BLMUSP2TSHR
SCHEMBL27709434 0.87 PNP (0.60) PNPTK1BLMUSP2TSHR
SCHEMBL9960816 0.84 PNP (0.68) PNPTK1BLMUSP2TSHR
SCHEMBL29286376 0.84 TK1 (0.76) PNPTK1BLMUSP2TSHR
SCHEMBL10506454 0.83 TK1 (0.63) PNPTK1BLMUSP2TSHR
SCHEMBL18521979 0.83 PNP (0.66) PNPTK1BLMUSP2TSHR
SCHEMBL13397350 0.82 TK1 (0.72) PNPTK1BLMUSP2TSHR
SCHEMBL874736 0.82 PNP (0.64) PNPTK1BLMUSP2TSHR
SCHEMBL9806969 0.81 TK1 (0.71) PNPTK1BLMUSP2TSHR
SCHEMBL23892740 0.79 TK1 (0.70) PNPTK1BLMUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 US claimed
US-11839661-B2 Rapid formation of supramolecular hydrogels by short peptide and bioactive small molecules BRANDEIS UNIVERSITY (US) 2023-12-12 US disclosed
US-20210128745-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY 2021-05-06 US disclosed
WO-2021060939-A1 NUCLEIC ACID-BASED SOLID-STATE SINGLE ION CONDUCTOR, ELECTROLYTE COMPRISING SAME, AND LITHIUM ION BATTERY COMPRISING SAME 울산과학기술원 2021-04-01 WO disclosed
CN-110337308-A exon skipping oligomer conjugates for muscular dystrophy 萨勒普塔医疗公司 2019-10-15 CN disclosed
CN-110290812-A exon skipping oligomer conjugates for muscular dystrophy 萨勒普塔医疗公司 2019-09-27 CN disclosed
WO-2019035928-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY (US) 2019-02-21 WO disclosed
CN-109311919-A Exon skipping oligomers for muscular dystrophy 萨勒普塔医疗公司 2019-02-05 CN disclosed
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 US disclosed