SCHEMBL25580754

SCHEMBL25580754

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ TK1 P04183 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ PNP P00491 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ EDNRA P25101 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ HBB P68871 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HPRT1 P00492 3/20 0.40
▸ STING1 Q86WV6 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
SCHEMBL16644431 0.93 ADORA3 (0.46) ADORA3TK1USP2PNPTSHR
SCHEMBL16368147 0.93 ADORA3 (0.46) ADORA3TK1USP2PNPTSHR
SCHEMBL16374041 0.93 ADORA3 (0.46) ADORA3TK1USP2PNPTSHR
SCHEMBL15833211 0.85 ADORA3 (0.48) ADORA3TK1USP2PNPTSHR
SCHEMBL15833130 0.85 ADORA3 (0.48) ADORA3TK1USP2PNPTSHR
SCHEMBL16647452 0.85 ADORA3 (0.46) ADORA3TK1USP2PNPTSHR
SCHEMBL16374232 0.83 POLG (0.49) PNPHPRT1STING1
SCHEMBL16368345 0.83 POLG (0.49) PNPHPRT1STING1
SCHEMBL18877332 0.83 POLG (0.49) PNPHPRT1STING1
SCHEMBL19590295 0.83 PNP (0.44) ADORA3PNPHPRT1

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
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
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