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SCHEMBL30008384

SCHEMBL30008384

CONc1nc(Cl)nc2c1cnn2[C@@H]1O[C@@H](COC(C)=O)[C@H](CC(=O)O)[C@H]1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 19/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30007802 0.88 NT5E (0.47) NT5E
SCHEMBL30008321 0.88 NT5E (0.45) NT5E
SCHEMBL27210203 0.88 LMNA (0.48) NT5EALDH1A1LMNATP53MAPT
SCHEMBL30812574 0.88 LMNA (0.48) NT5EALDH1A1LMNATP53MAPT
Acetic Acid SCHEMBL30717262 0.84 NT5E (0.39) NT5EALDH1A1LMNATP53MAPT
Acetic Acid SCHEMBL30717264 0.84 NT5E (0.39) NT5EALDH1A1LMNATP53MAPT
Acetic Acid SCHEMBL30812570 0.81 LMNA (0.43) NT5EALDH1A1LMNATP53MAPT
SCHEMBL30008273 0.77 LMNA (0.49) NT5EALDH1A1LMNATP53MAPT
SCHEMBL30008010 0.77 LMNA (0.52) NT5EALDH1A1LMNATP53MAPT
SCHEMBL27210204 0.77 NT5E (0.57) NT5E

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
CN-117642411-A Small molecule CD73 antagonists and uses thereof 西藏海思科制药有限公司 2024-03-01 — — CN disclosed
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