SCHEMBL9423943

SCHEMBL9423943

Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](CO)[C@H](O)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.62
PDE3A Q14432 2/20 0.62
PNP P00491 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
ADORA3 P0DMS8 9/20 0.56
ADORA2A P29274 4/20 0.56
ADORA1 P30542 3/20 0.56
HSP90AA1 P07900 2/20 0.53
HSP90B1 P14625 2/20 0.53
PDE2A O00408 1/20 0.53
ADRA1A P35348 1/20 0.53
AHCY P23526 2/20 0.52
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL19503470 1.00 PDE4D (0.62) PDE4DPDE3APNPLMNATP53
SCHEMBL29319896 0.88 PDE4D (0.62) PDE4DPDE3APNPLMNATP53
SCHEMBL7140801 0.83 AHCY (0.52) PDE4DPDE3APNPLMNATP53
SCHEMBL7140807 0.83 AHCY (0.52) PDE4DPDE3APNPLMNATP53
SCHEMBL7097329 0.83 AHCY (0.52) PDE4DPDE3APNPLMNATP53
SCHEMBL19503474 0.83 AHCY (0.49) PDE4DPDE3APNPLMNATP53
SCHEMBL12157236 0.81 AHCY (0.66) ADORA3ADORA2AADORA1AHCY
SCHEMBL9687054 0.81 AHCY (0.66) ADORA3ADORA2AADORA1AHCY
SCHEMBL12173989 0.81 AHCY (0.66) ADORA3ADORA2AADORA1AHCY
SCHEMBL9310338 0.81 AHCY (0.70) PDE4DPDE3APNPLMNATP53

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-5332814-A Process for the preparation of carbacyclic nucleosides, and intermediates CIBA-GEIGY CORPORATION (US) 1994-07-26 US disclosed
EP-0542681-A1 Process for the preparation of carbocyclic nucleosides and its intermediates CIBA-GEIGY AG (CH) 1993-05-19 EP disclosed