SCHEMBL28823541

SCHEMBL28823541

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.[NaH]

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.71
SIRT1 Q96EB6 1/20 0.71
ENTPD1 P49961 1/20 0.67
NADK O95544 1/20 0.67
DNPH1 O43598 1/20 0.66
PRKAB2 O43741 1/20 0.66
TRPM2 O94759 1/20 0.66
LDHA P00338 1/20 0.66
ADRB2 P07550 1/20 0.66
FBP1 P09467 1/20 0.66
SRC P12931 1/20 0.66
ADORA1 P30542 1/20 0.66
P2RY2 P41231 1/20 0.66
P2RY1 P47900 1/20 0.66
PRKAG1 P54619 1/20 0.66
PRKAA2 P54646 1/20 0.66
PDE4D Q08499 1/20 0.66
KCNH2 Q12809 1/20 0.66
PRKAA1 Q13131 1/20 0.66
PDE3A Q14432 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
SCHEMBL30583439 0.99 SIRT2 (0.72) SIRT2SIRT1ENTPD1NADKDNPH1
SCHEMBL4315602 0.99 SIRT2 (0.72) SIRT2SIRT1ENTPD1NADKDNPH1
SCHEMBL6764984 0.99 SIRT2 (0.72) SIRT2SIRT1ENTPD1NADKDNPH1
SCHEMBL4314233 0.92 ENTPD1 (0.72) ENTPD1TRPM2P2RY1
SCHEMBL15082696 0.91 ENTPD1 (0.73) ENTPD1TRPM2SRCP2RY2P2RY1
SCHEMBL30079811 0.91 ENTPD1 (0.73) ENTPD1TRPM2SRCP2RY2P2RY1
SCHEMBL374913 0.91 ENTPD1 (0.73) ENTPD1TRPM2SRCP2RY2P2RY1
SCHEMBL374912 0.91 ENTPD1 (0.73) ENTPD1TRPM2SRCP2RY2P2RY1
SCHEMBL29707220 0.90 NADK (0.67) SIRT2SIRT1ENTPD1NADKP2RY1
SCHEMBL28823546 0.90 NADK (0.67) SIRT2SIRT1ENTPD1NADKP2RY1

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-114796256-A Application of cyclic adenosine compounds in preparation of anti-Zika virus drugs 武汉大学 2022-07-29 CN disclosed
CN-114796256-A Application of cyclic adenosine compounds in preparation of anti-Zika virus drugs 武汉大学 2022-07-29 CN disclosed