SCHEMBL30007887

SCHEMBL30007887

CC(C)ONc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NT5E P21589 6/20 0.52
ADORA2A P29274 3/20 0.46
ADORA2B P29275 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL27195103 1.00 NT5E (0.52) NT5EADORA2AADORA2BSMN1; SMN2LMNA
SCHEMBL24672760 0.89 NT5E (0.54) NT5EADORA2AADORA2BSMN1; SMN2LMNA
SCHEMBL30008458 0.89 NT5E (0.54) NT5EADORA2AADORA2BSMN1; SMN2LMNA
SCHEMBL24672048 0.84 NT5E (0.40) NT5EADORA2AADORA2BLMNAALDH1A1
SCHEMBL30008545 0.84 NT5E (0.40) NT5EADORA2AADORA2BLMNAALDH1A1
SCHEMBL30007757 0.84 NT5E (0.72) NT5E
SCHEMBL24672052 0.84 NT5E (0.72) NT5E
SCHEMBL27195155 0.83 NT5E (0.56) NT5E
SCHEMBL30008325 0.83 NT5E (0.56) NT5E
SCHEMBL24672043 0.83 NT5E (0.40) NT5EADORA2AADORA2BSMN1; SMN2LMNA

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
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 WO disclosed