SCHEMBL30198615

SCHEMBL30198615

CCOC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H](F)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 15/20 0.75
CD99 P14209 1/20 0.72
PDE2A O00408 4/20 0.69
ADORA3 P0DMS8 2/20 0.69
ADORA2A P29274 1/20 0.69
ADORA1 P30542 1/20 0.69
ADRA1A P35348 1/20 0.69
PDE4D Q08499 1/20 0.69
PDE3A Q14432 1/20 0.69

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
SCHEMBL21291969 1.00 NT5E (0.75) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL21291962 0.91 NT5E (0.68) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL21291982 0.91 NT5E (0.67) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL21291981 0.90 NT5E (0.71) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL21291989 0.90 NT5E (0.66) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL21291978 0.90 NT5E (0.66) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL19949155 0.90 NT5E (0.81) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL21291965 0.88 NT5E (0.73) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL21291964 0.88 NT5E (0.73) NT5ECD99PDE2AADORA3ADORA2A
SCHEMBL30198879 0.88 NT5E (0.73) NT5ECD99PDE2AADORA3ADORA2A

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
EP-3529254-B1 PRODRUGS OF CLOFARABINE WU LAURENCE I (TW) 2023-02-22 EP disclosed