SCHEMBL28123382

SCHEMBL28123382

Nc1nc(=O)c2ncn(CCCO)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.60
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.51
ADORA2A P29274 1/20 0.47
HPRT1 P00492 4/20 0.46
PNP P00491 7/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42

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
Penciclovir SCHEMBL3494 0.84 TK1 (0.49) TK1GAAKMT2AHPRT1PNP
Acyclovir SCHEMBL40723 0.81 PNP (0.67) TK1KMT2AHPRT1PNPUSP2
Tiviciclovir SCHEMBL15531845 0.81 BLM (0.45) TK1GAAKMT2AHPRT1PNP
SCHEMBL469372 0.80 KDM4E (0.48) TK1GAAKMT2AHPRT1PNP
Penciclovir SCHEMBL454089 0.80 HPRT1 (0.47) TK1KMT2AHPRT1PNPBLM
SCHEMBL769982 0.80 GAA (0.47) TK1GAAKMT2AHPRT1PNP
Penciclovir SCHEMBL4240103 0.80 HPRT1 (0.47) TK1KMT2AHPRT1PNPBLM
SCHEMBL133681 0.80 TK1 (0.43) TK1GAAKMT2AHPRT1PNP
Water SCHEMBL15532449 0.79 TK1 (0.42) TK1GAAKMT2AHPRT1PNP
SCHEMBL3836263 0.79 TK1 (0.92) TK1KMT2AHPRT1PNPUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114306596-A Topical application of anti-HSV antibodies 海德堡免疫疗法有限公司 2022-04-12 CN disclosed
CN-106488931-B Topical application of anti-HSV antibodies 海德堡免疫疗法有限公司 2021-12-28 CN disclosed
CN-106488931-A Topical application of anti-HSV antibodies 海德堡免疫疗法有限公司 2017-03-08 CN disclosed