SCHEMBL19352403

SCHEMBL19352403

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.46
▸ ADA P00813 1/20 0.41
▸ NT5E P21589 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ADORA3 P0DMS8 3/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADORA2B P29275 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.36
▸ HINT1 P49773 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL19352192 0.89 ADORA2A (0.48) ADORA2AADANT5ELMNAHIF1A
SCHEMBL19352194 0.89 ADORA2A (0.48) ADORA2AADANT5ELMNAHIF1A
SCHEMBL31036925 0.89 ADORA2A (0.48) ADORA2AADANT5ELMNAHIF1A
SCHEMBL19352402 0.88 ADORA3 (0.49) ADORA2ANT5EADORA3HPGDHINT1
SCHEMBL19535643 0.84 ADORA2A (0.44) ADORA2AADANT5ELMNAHIF1A
SCHEMBL19536536 0.84 ADORA2A (0.44) ADORA2AADANT5ELMNAHIF1A
SCHEMBL19535647 0.84 ADORA2A (0.44) ADORA2AADANT5ELMNAHIF1A
SCHEMBL19536694 0.84 ADORA2A (0.42) ADORA2AADANT5ELMNAHIF1A
SCHEMBL19536520 0.83 ADORA2A (0.43) ADORA2AADANT5ELMNAHIF1A
SCHEMBL19536425 0.83 ADORA2A (0.47) ADORA2AADANT5ELMNAHIF1A

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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