SCHEMBL28223283

SCHEMBL28223283

[CH2]CCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.69
HPRT1 P00492 8/20 0.63
PNP P00491 7/20 0.62
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
BLM P54132 1/20 0.60
HBB P68871 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL27506929 0.92 TK1 (0.74) TK1HPRT1PNPUSP2TSHR
SCHEMBL29286376 0.91 TK1 (0.76) TK1HPRT1PNPUSP2TSHR
SCHEMBL16056722 0.89 TK1 (0.74) TK1HPRT1PNP
SCHEMBL9806969 0.87 TK1 (0.71) TK1HPRT1PNPUSP2TSHR
SCHEMBL667796 0.85 TK1 (0.69) TK1HPRT1PNPUSP2TSHR
SCHEMBL441797 0.85 TK1 (0.69) TK1HPRT1PNPUSP2TSHR
SCHEMBL350397 0.85 TK1 (0.82) TK1HPRT1PNPUSP2TSHR
SCHEMBL9960816 0.84 PNP (0.68) TK1HPRT1PNPUSP2TSHR
SCHEMBL15743134 0.84 TK1 (0.76) TK1HPRT1PNPUSP2TSHR
SCHEMBL3793003 0.84 TK1 (0.76) TK1HPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108138182-A Transthyretin (TTR) iRNA compositions and methods of use thereof to treat or prevent TTR-associated diseases 阿尔尼拉姆医药品有限公司 2018-06-08 CN disclosed