SCHEMBL30655874

SCHEMBL30655874

CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.87
▸ ADORA3 P0DMS8 4/20 0.68
▸ P2RY1 P47900 6/20 0.62
▸ P2RY11 Q96G91 4/20 0.62
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ CA4 P22748 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ CD99 P14209 1/20 0.61
▸ ADORA2A P29274 1/20 0.60
▸ ADORA2B P29275 1/20 0.60
▸ ADORA1 P30542 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
SCHEMBL17203005 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202527 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17203009 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202817 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202524 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202697 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202815 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL19948904 0.93 NT5E (1.00) NT5EADORA3CD99ADORA2AADORA1
SCHEMBL19949301 0.93 NT5E (1.00) NT5EADORA3CD99ADORA2AADORA1
SCHEMBL30262579 0.93 NT5E (1.00) NT5EADORA3CD99ADORA2AADORA1

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-111542539-B Recovery of T cell Activity by CD39/CD73 axis 先天制药公司 2023-10-20 — — CN disclosed
Send feedback