SCHEMBL19645975

SCHEMBL19645975

CO[C@@H]1[C@H](O)[C@H](n2cnc3c(=O)n(C)c(N)nc32)O[C@@H]1CO

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.53
▸ ADORA2B P29275 4/20 0.53
▸ ADORA3 P0DMS8 3/20 0.50
▸ ADORA1 P30542 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ NT5E P21589 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL18512868 0.93 ADORA2A (0.54) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL18512927 0.93 ADORA2A (0.54) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL14917346 0.93 ADORA2A (0.54) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL1042637 0.93 ADORA2A (0.54) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL20580087 0.93 ADORA2A (0.54) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL29388193 0.92 ADORA2A (0.53) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL343478 0.89 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL62505 0.89 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL14931005 0.89 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL18512921 0.89 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP1A2

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
US-9827332-B2 Modified polynucleotides for the production of proteins MODERNATX, INC. (US) 2017-11-28 — — US disclosed
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