SCHEMBL18950667

SCHEMBL18950667

COC(=O)CO[C@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.57
▸ ADORA2B P29275 5/20 0.57
▸ HINT1 P49773 1/20 0.55
▸ ADORA3 P0DMS8 3/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ CYP2C19 P33261 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ NT5E P21589 1/20 0.52
▸ HIF1A Q16665 1/20 0.52

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
SCHEMBL16002755 1.00 ADORA2A (0.57) ADORA2AADORA2BHINT1ADORA3ADORA1
SCHEMBL24943257 0.89 ADORA2A (0.55) ADORA2AADORA2BHINT1ADORA3ADORA1
SCHEMBL16801790 0.88 ADORA1 (0.67) ADORA2AADORA2BADORA3ADORA1HIF1A
SCHEMBL2402156 0.88 ADORA1 (0.67) ADORA2AADORA2BADORA3ADORA1HIF1A
SCHEMBL2402159 0.88 ADORA1 (0.67) ADORA2AADORA2BADORA3ADORA1HIF1A
SCHEMBL15993868 0.87 ADORA2A (0.57) ADORA2AADORA2BHINT1ADORA3ADORA1
SCHEMBL7608233 0.87 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL3624008 0.87 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL1527213 0.86 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL12150807 0.86 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19

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
EP-2961757-B1 CELL-PENETRATING OLIGONUCLEOTIDES OLIGOMER SCIENCES AB (SE) 2017-06-14 — — EP disclosed
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