SCHEMBL7746161

SCHEMBL7746161

NCCNC(=O)NN1CN([C@@H]2O[C@H](CO)C(O)C2O)c2ncnc(N)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA8 P11142 3/20 0.42
HSPA5 P11021 2/20 0.42
HIF1A Q16665 2/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
DOT1L Q8TEK3 2/20 0.41
ADORA1 P30542 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.41
SLC28A1 O00337 1/20 0.41
MAP3K7 O43318 1/20 0.41
SLC28A2 O43868 1/20 0.41
GAPDH P04406 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2B P29275 1/20 0.41
STAT6 P42226 1/20 0.41
PI4KA P42356 1/20 0.41
KMT2A Q03164 1/20 0.41
PI4K2B Q8TCG2 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
SCHEMBL1976100 0.85 HSPA8 (0.46) HSPA8HSPA5HIF1AADORA3ADORA2A
SCHEMBL177666 0.84 HSPA8 (0.44) HSPA8HSPA5HIF1AADORA3ADORA2A
SCHEMBL7617960 0.84 ADORA3 (0.43) HSPA8HSPA5HIF1AADORA3ADORA2A
SCHEMBL2197504 0.77 CDK1 (0.48) HSPA8HSPA5HIF1AADORA3ADORA2A
SCHEMBL1665379 0.77 HSPA5 (0.51) HSPA8HSPA5HIF1AADORA3ADORA2A
Ammonia Solution, Strong SCHEMBL28147967 0.76 HSPA5 (0.50) HSPA8HSPA5HIF1AADORA3ADORA2A
SCHEMBL1936249 0.76 ADK (0.50) HSPA8HSPA5HIF1AADORA3ADORA2A
SCHEMBL830796 0.76 MAPK1 (0.50) HSPA8HSPA5HIF1AADORA3ADORA2A
SCHEMBL3841527 0.76 DOT1L (0.50) HSPA8HSPA5HIF1AADORA3ADORA2A
SCHEMBL724943 0.76 MAPK1 (0.50) HSPA8HSPA5HIF1AADORA3ADORA2A

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-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
US-5773423-A XANTHINE RIBOSIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-30 US disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 WO disclosed