SCHEMBL23760876

SCHEMBL23760876

C#C[C@H]1C[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(NC3CC3)nc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ GPR17 Q13304 1/20 0.49
▸ ABCB1 P08183 5/20 0.47
▸ NT5E P21589 5/20 0.47
▸ NR1I2 O75469 1/20 0.45
▸ ALB P02768 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ ADORA3 P0DMS8 3/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ ADORA2B P29275 3/20 0.44
▸ ADORA1 P30542 3/20 0.44

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
SCHEMBL23760862 0.94 ABCB1 (0.49) POLBABCB1NT5ENR1I2ALB
SCHEMBL24081848 0.89 POLB (0.53) POLBGPR17ABCB1NT5ENR1I2
SCHEMBL23760751 0.89 POLB (0.53) POLBGPR17ABCB1NT5ENR1I2
SCHEMBL23760867 0.84 P2RY1 (0.53) NT5EADORA3ADORA2BADORA1
SCHEMBL24081834 0.84 POLB (0.55) POLBGPR17ABCB1NT5ENR1I2
SCHEMBL23760882 0.84 NT5E (0.45) GPR17NT5E
SCHEMBL23760747 0.83 NT5E (0.44) GPR17NT5E
SCHEMBL21136289 0.82 NT5E (0.68) GPR17NT5EADORA3ADORA2AADORA1
SCHEMBL21136285 0.82 NT5E (0.68) GPR17NT5EADORA3ADORA2AADORA1
SCHEMBL21136282 0.82 NT5E (0.67) GPR17NT5E

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
EP-3512863-B1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT ATEA PHARMACEUTICALS INC (US) 2021-12-08 — — EP disclosed
EP-3865136-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR CORONA VIRUS TREATMENT ATEA Pharmaceuticals, Inc. (US) 2021-08-18 — — EP disclosed
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