SCHEMBL9124928

SCHEMBL9124928

Nc1nc2c(ncn2[C@@H]2O[C@H](C(O)OP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.53
TGM2 P21980 1/20 0.49
KRAS P01116 1/20 0.49
STING1 Q86WV6 12/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
IMPDH2 P12268 1/20 0.48
HINT1 P49773 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL9128050 0.93 TGM2 (0.51) NT5ETGM2KRASSTING1PDE3B
SCHEMBL9124577 0.92 TGM2 (0.50) NT5ETGM2KRASSTING1PDE3B
SCHEMBL4081026 0.92 NT5E (0.60) NT5ETGM2KRASSTING1PDE3B
SCHEMBL5861503 0.92 NT5E (0.60) NT5ETGM2KRASSTING1PDE3B
Guanosine SCHEMBL2447866 0.85 NT5E (0.62) NT5ETGM2KRASIMPDH2HINT1
SCHEMBL407394 0.83 NT5E (0.59) NT5ETGM2KRASSTING1PDE3B
SCHEMBL1527362 0.81 NT5E (0.59) NT5ETGM2KRASSTING1PDE3B
SCHEMBL9853314 0.81 NT5E (0.59) NT5EPDE3A
SCHEMBL8970175 0.81 NT5E (0.59) NT5EPDE3A
SCHEMBL8862998 0.81 NT5E (0.59) NT5EPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671410-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-13 EP disclosed
US-5420115-A Method for the treatment of protoza infections with 21 -deoxy-21 -fluoropurine nucleosides BURROUGHS WELLCOME CO. (US) 1995-05-30 US disclosed
EP-0417999-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 EP disclosed