SCHEMBL22946798

SCHEMBL22946798

CCC(C)n1cnc2c(O)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.68
▸ ADORA2B P29275 2/20 0.68
▸ ADORA1 P30542 2/20 0.68
▸ PI4KA P42356 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ CCNB2 O95067 7/20 0.45
▸ CDK1 P06493 7/20 0.45
▸ CCNB1 P14635 7/20 0.45
▸ CCNB3 Q8WWL7 7/20 0.45
▸ ADA P00813 4/20 0.41
▸ PDE2A O00408 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL23774610 0.88 ADORA2A (0.52) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL11243630 0.87 ADORA2A (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL18751223 0.83 ADORA2A (0.64) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL23867105 0.82 ADORA2A (0.69) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL240049 0.81 ADORA2A (1.00) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL233401 0.81 ADORA2A (1.00) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL4572183 0.81 ADORA2A (1.00) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL21943154 0.78 ADORA2A (0.64) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL19661692 0.78 ADORA2A (0.64) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL21943153 0.77 CDK1 (0.61) ADORA2AADORA2BADORA1CCNB2CDK1

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
US-11739325-B2 Oligonucleotide compositions and methods thereof WAVE LIFE SCIENCES LTD. (SG) 2023-08-29 — — US disclosed
US-20210032620-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2021-02-04 — — US disclosed
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