SCHEMBL9114703

SCHEMBL9114703

Nc1nc(N)c2ncn(C3CC[C@@H](CO)S3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.54
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ NT5E P21589 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ PNP P00491 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HSP90B1 P14625 1/20 0.40

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
SCHEMBL9114712 1.00 AHCY (0.54) AHCYCDK1CCNB1CCNE1CDK2
SCHEMBL9115366 0.88 PDE4D (0.54) LMNAPDE4DADORA2APNPTP53
SCHEMBL12960586 0.88 AHCY (0.41) AHCYLMNANT5EPDE4DNR1I2
SCHEMBL9115355 0.88 PDE4D (0.54) LMNAPDE4DADORA2APNPTP53
SCHEMBL29514954 0.84 ADORA2A (0.56) AHCYADORA2AADORA2BSMN1; SMN2ADORA3
SCHEMBL9115023 0.84 ADORA2A (0.56) AHCYADORA2AADORA2BSMN1; SMN2ADORA3
SCHEMBL9115027 0.84 ADORA2A (0.56) AHCYADORA2AADORA2BSMN1; SMN2ADORA3
SCHEMBL8912036 0.79 AHCY (0.62) AHCYLMNANT5EHIF1APDE4D
SCHEMBL8912042 0.79 AHCY (0.62) AHCYLMNANT5EHIF1APDE4D
SCHEMBL9445334 0.79 AHCY (0.62) AHCYLMNANT5EHIF1APDE4D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995011685-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1995-05-04 — — WO claimed
EP-0525106-A4 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS — 1993-04-21 — — EP claimed
EP-0525106-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1993-02-03 — — EP claimed
US-5128458-A 2',3'-dideoxy-4'-thioribonucleosides as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 1992-07-07 — — US claimed
WO-1991016333-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-10-31 — — WO claimed
US-5478928-A Useful as antiviral agents in the treatment and prevention of AIDS SOUTHERN RESEARCH INSTITUTE (US) 1995-12-26 — — US disclosed
WO-1995011685-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1995-05-04 — — WO disclosed
US-5128458-A 2',3'-dideoxy-4'-thioribonucleosides as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 1992-07-07 — — US disclosed
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