SCHEMBL28740186

SCHEMBL28740186

CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(CP(=O)(O)Oc2ccc(Cl)c(Cl)c2)Oc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O)C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 18/20 0.72
▸ ADORA3 P0DMS8 2/20 0.48
▸ ADORA2A P29274 2/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ CD79B P40259 1/20 0.46

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
SCHEMBL30440145 0.95 NT5E (0.70) NT5EADORA3ADORA2AADORA1
SCHEMBL19100892 0.95 NT5E (0.70) NT5EADORA3ADORA2AADORA1
SCHEMBL19100848 0.92 NT5E (0.71) NT5EADORA3ADORA2AADORA1CD79B
SCHEMBL19349798 0.87 NT5E (0.69) NT5EADORA3ADORA2AADORA1
SCHEMBL19370293 0.87 NT5E (0.73) NT5EADORA3ADORA2AADORA1
SCHEMBL19370224 0.87 NT5E (0.73) NT5EADORA3ADORA2AADORA1
SCHEMBL19366693 0.85 NT5E (0.70) NT5EADORA3ADORA2AADORA1
SCHEMBL19366735 0.85 NT5E (0.70) NT5EADORA3ADORA2AADORA1
SCHEMBL24078876 0.84 NT5E (0.54) NT5EADORA3ADORA2AADORA1
SCHEMBL19366690 0.84 NT5E (1.00) NT5E

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-114395005-A Modulators of extracellular 5' -nucleotidase and uses thereof 艾库斯生物科学有限公司 2022-04-26 — — CN disclosed
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