SCHEMBL8913282

SCHEMBL8913282

Nc1nc(Cl)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.61
▸ PDE3A Q14432 2/20 0.61
▸ PNP P00491 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ ADORA3 P0DMS8 11/20 0.58
▸ ADORA2A P29274 6/20 0.58
▸ ADORA1 P30542 5/20 0.58
▸ HSP90AA1 P07900 2/20 0.54
▸ HSP90B1 P14625 2/20 0.54
▸ PDE2A O00408 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ AHCY P23526 3/20 0.50

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
SCHEMBL9445425 1.00 PDE4D (0.61) PDE4DPDE3APNPLMNATP53
SCHEMBL8913285 1.00 PDE4D (0.61) PDE4DPDE3APNPLMNATP53
SCHEMBL8912042 0.88 AHCY (0.62) PDE4DPDE3APNPLMNATP53
SCHEMBL9445334 0.88 AHCY (0.62) PDE4DPDE3APNPLMNATP53
SCHEMBL8912036 0.88 AHCY (0.62) PDE4DPDE3APNPLMNATP53
SCHEMBL9445342 0.87 AHCY (0.67) PDE4DPDE3APNPLMNATP53
SCHEMBL8913103 0.87 AHCY (0.67) PDE4DPDE3APNPLMNATP53
SCHEMBL8913115 0.87 AHCY (0.67) PDE4DPDE3APNPLMNATP53
SCHEMBL5066601 0.82 AHCY (0.63) SMN1; SMN2ADORA3ADORA2AADORA1AHCY
SCHEMBL5066600 0.82 AHCY (0.63) SMN1; SMN2ADORA3ADORA2AADORA1AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591722-A ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1997-01-07 — — US claimed
US-5591722-A ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1997-01-07 — — US disclosed
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