SCHEMBL19352192

SCHEMBL19352192

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C(O)[C@]2(O)CF)c(=S)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.48
▸ ADA P00813 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ADORA3 P0DMS8 6/20 0.39
▸ ADORA2B P29275 5/20 0.39
▸ ADORA1 P30542 4/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SLC28A1 O00337 1/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ SLC28A2 O43868 1/20 0.38
▸ GAPDH P04406 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL19352194 1.00 ADORA2A (0.48) ADORA2AADALMNANT5EHIF1A
SCHEMBL19352403 0.89 ADORA2A (0.46) ADORA2AADALMNANT5EHIF1A
SCHEMBL14594720 0.88 ADORA3 (0.50) ADORA2ANT5EADORA3PDE3AHPGD
SCHEMBL19352193 0.88 ADORA3 (0.50) ADORA2ANT5EADORA3PDE3AHPGD
SCHEMBL31036925 0.88 ADORA2A (0.48) ADORA2AADALMNANT5EHIF1A
SCHEMBL19536425 0.86 ADORA2A (0.47) ADORA2AADALMNANT5EHIF1A
SCHEMBL19536429 0.86 ADORA2A (0.47) ADORA2AADALMNANT5EHIF1A
SCHEMBL19536005 0.85 ADORA2A (0.45) ADORA2AADALMNANT5EHIF1A
SCHEMBL19535505 0.85 ADORA2A (0.46) ADORA2AADALMNANT5EHIF1A
SCHEMBL5424941 0.84 ALDH1A1 (0.48) ADORA2AADALMNANT5EHIF1A

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
WO-2017155923-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2017-09-14 — — WO disclosed
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