SCHEMBL24672021

SCHEMBL24672021

Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 8/20 0.68
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PDE2A O00408 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
ADRA1A P35348 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3A Q14432 1/20 0.50
TP53 P04637 1/20 0.49
ATG7 O95352 1/20 0.47
ADK P55263 3/20 0.45
DOT1L Q8TEK3 1/20 0.45

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
SCHEMBL20305379 0.90 PDE2A (0.61) NT5ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL18483533 0.86 SMN1; SMN2 (0.55) NT5ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL22614532 0.81 NT5E (1.00) NT5E
SCHEMBL22975822 0.81 NT5E (1.00) NT5E
SCHEMBL27195120 0.81 NT5E (0.54) NT5EADORA3
SCHEMBL30008411 0.81 NT5E (0.54) NT5EADORA3
SCHEMBL22704891 0.81 SMN1; SMN2 (0.54) NT5ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL6674410 0.81 SMN1; SMN2 (0.54) NT5ESMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL1737936 0.81 ATG7 (0.69) SMN1; SMN2LMNAPOLBALDH1A1ADORA3
SCHEMBL29325550 0.81 ATG7 (0.69) SMN1; SMN2LMNAPOLBALDH1A1ADORA3

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
WO-2024010810-A2 FC CONJUGATES INCLUDING AN INHIBITOR OF CD73 AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2024-01-11 WO 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