SCHEMBL28213724

SCHEMBL28213724

Nc1ncnc2c1ncn2N1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.45
▸ ADORA1 P30542 8/20 0.45
▸ PI4KA P42356 11/20 0.42
▸ PI4K2B Q8TCG2 11/20 0.42
▸ PI4K2A Q9BTU6 11/20 0.42
▸ PI4KB Q9UBF8 11/20 0.42
▸ ADORA2B P29275 4/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ EGFR P00533 1/20 0.40
▸ AHCY P23526 2/20 0.40

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
SCHEMBL580610 0.77 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.75 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28410735 0.73 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28560268 0.67 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3712758 0.66 ADORA2A (0.79) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11222112 0.65 ADORA2A (0.80) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Hydrochloric Acid SCHEMBL15310347 0.65 ADORA2A (0.77) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29242837 0.65 YTHDC1 (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL120720 0.65 ADORA2A (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL667204 0.64 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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-108026527-A Defined multiconjugated oligonucleotides MPEG LA有限责任公司 2018-05-11 — — CN disclosed
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