SCHEMBL15833211

SCHEMBL15833211

C#C[C@]1(O)C(n2cnc3c(=O)[nH]c(N)nc32)O[C@](F)(CO)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.48
▸ TK1 P04183 2/20 0.40
▸ PNP P00491 2/20 0.40
▸ HINT1 P49773 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EDNRA P25101 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HPRT1 P00492 1/20 0.39
▸ STING1 Q86WV6 2/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39

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
SCHEMBL15833130 1.00 ADORA3 (0.48) ADORA3TK1PNPHINT1NT5E
SCHEMBL16374041 0.91 ADORA3 (0.46) ADORA3TK1PNPUSP2TSHR
SCHEMBL16368147 0.91 ADORA3 (0.46) ADORA3TK1PNPUSP2TSHR
SCHEMBL16644431 0.91 ADORA3 (0.46) ADORA3TK1PNPUSP2TSHR
SCHEMBL16647452 0.90 ADORA3 (0.46) ADORA3TK1PNPHINT1NT5E
SCHEMBL16374044 0.90 ADORA3 (0.49) ADORA3TK1PNPHINT1NT5E
SCHEMBL15833027 0.90 ADORA3 (0.49) ADORA3TK1PNPHINT1NT5E
SCHEMBL15837294 0.89 ADORA3 (0.36) ADORA3HINT1NT5E
SCHEMBL16647486 0.87 ADORA3 (0.40) ADORA3PNPHINT1NT5EHPRT1
SCHEMBL15833022 0.87 ADORA3 (0.52) ADORA3TK1PNPHINT1NT5E

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-2014100505-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-06-26 — — WO disclosed
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