SCHEMBL11420439

SCHEMBL11420439

Fc1nc(F)c2ncn([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 6/20 0.61
▸ HTR1A P08908 1/20 0.56
▸ BCHE P06276 1/20 0.50
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ MDM2 Q00987 2/20 0.41
▸ SLC29A1 Q99808 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ PTPN1 P18031 4/20 0.39
▸ CDC25B P30305 4/20 0.39
▸ PTPN2 P17706 2/20 0.39
▸ PTPN6 P29350 2/20 0.39
▸ PTPN11 Q06124 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL750344 0.90 PDE2A (0.72) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL6293320 0.84 HTR1A (0.56) PDE2AHTR1ABCHETP53MDM2
SCHEMBL9097705 0.83 PDE2A (0.70) PDE2AHTR1ABCHETP53
SCHEMBL8764444 0.83 PDE2A (0.70) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL11427985 0.80 PDE2A (0.64) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL5961364 0.80 PDE2A (0.64) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL6306351 0.80 PDE2A (0.61) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL6306348 0.80 PDE2A (0.61) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL9098922 0.80 PDE2A (0.65) PDE2AHTR1ABCHE
SCHEMBL750739 0.77 BCHE (0.68) PDE2AHTR1ABCHEADORA2ATP53

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
US-4188378-A Anticancer and antiviral activity of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-12 — — US disclosed
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