SCHEMBL19352193

SCHEMBL19352193

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ ADORA2A P29274 2/20 0.48
▸ HINT1 P49773 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ PNP P00491 2/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ STING1 Q86WV6 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44

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
SCHEMBL14594720 1.00 ADORA3 (0.50) ADORA3HPGDADORA2AHINT1NT5E
SCHEMBL18636462 0.90 ADORA2A (0.51) ADORA3HPGDADORA2AHINT1NT5E
SCHEMBL31225342 0.90 ADORA2A (0.51) ADORA3HPGDADORA2AHINT1NT5E
SCHEMBL19352402 0.89 ADORA3 (0.49) ADORA3HPGDADORA2AHINT1NT5E
SCHEMBL546453 0.89 ADORA3 (0.51) ADORA3HPGDADORA2AHINT1NT5E
SCHEMBL4844756 0.89 ADORA3 (0.51) ADORA3HPGDADORA2AHINT1NT5E
SCHEMBL6537055 0.89 ADORA3 (0.53) ADORA3HPGDADORA2AHINT1NT5E
SCHEMBL19352192 0.88 ADORA2A (0.48) ADORA3HPGDADORA2ANT5EPDE3A
SCHEMBL19352194 0.88 ADORA2A (0.48) ADORA3HPGDADORA2ANT5EPDE3A
SCHEMBL545903 0.88 ADORA3 (0.52) ADORA3HPGDADORA2AHINT1NT5E

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
Send feedback