SCHEMBL29286376

SCHEMBL29286376

Nc1nc2c(ncn2CCn2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.76
HPRT1 P00492 7/20 0.69
PNP P00491 7/20 0.68
USP2 O75604 1/20 0.66
TSHR P16473 1/20 0.66
EDNRA P25101 1/20 0.66
HTR2A P28223 1/20 0.66
RECQL P46063 1/20 0.66
BLM P54132 1/20 0.66
HBB P68871 1/20 0.66
HSD17B10 Q99714 1/20 0.66

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
SCHEMBL9960816 0.93 PNP (0.68) TK1HPRT1PNPUSP2TSHR
SCHEMBL9806969 0.92 TK1 (0.71) TK1HPRT1PNPUSP2TSHR
SCHEMBL28223283 0.91 TK1 (0.69) TK1HPRT1PNPUSP2TSHR
SCHEMBL441797 0.91 TK1 (0.69) TK1HPRT1PNPUSP2TSHR
SCHEMBL350397 0.91 TK1 (0.82) TK1HPRT1PNPUSP2TSHR
SCHEMBL667796 0.91 TK1 (0.69) TK1HPRT1PNPUSP2TSHR
SCHEMBL15743134 0.90 TK1 (0.76) TK1HPRT1PNPUSP2TSHR
SCHEMBL3793003 0.90 TK1 (0.76) TK1HPRT1PNP
SCHEMBL18521979 0.89 PNP (0.66) TK1HPRT1PNPUSP2TSHR
SCHEMBL8196749 0.88 TK1 (0.78) TK1HPRT1PNPUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272442-B One-pot synthesis of pools of oligonucleotides DNA斯克瑞普特公司 2024-03-15 CN disclosed
CN-113272442-A One-pot synthesis of pools of oligonucleotides DNA斯克瑞普特公司 2021-08-17 CN disclosed