SCHEMBL4750533

SCHEMBL4750533

C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.64
MARS1 P56192 2/20 0.64
PLA2G2A P14555 1/20 0.63
TARS1 P26639 2/20 0.61
IARS1 P41252 2/20 0.59
LARS1 Q9P2J5 2/20 0.57
QARS1 P47897 2/20 0.57
SARS1 P49591 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL2761284 0.82 MARS1 (0.74) PRKACAMARS1PLA2G2ATARS1ADORA3
SCHEMBL7757016 0.81 MARS1 (0.73) PRKACAMARS1TARS1IARS1LARS1
SCHEMBL8846496 0.81 MARS1 (0.73) PRKACAMARS1PLA2G2ATARS1LARS1
SCHEMBL16056094 0.80 MARS1 (0.66) PRKACAMARS1PLA2G2AADORA3ADORA2A
SCHEMBL16057443 0.80 MARS1 (0.66) PRKACAMARS1PLA2G2AADORA3ADORA2A
SCHEMBL2463542 0.79 PRKACA (0.73) PRKACAMARS1ADORA3ADORA2AADORA2B
SCHEMBL9426538 0.79 PRKACA (0.73) PRKACAMARS1ADORA3ADORA2AADORA2B
SCHEMBL6408983 0.79 MARS1 (0.80) PRKACAMARS1QARS1ADORA3ADORA2A
SCHEMBL6408975 0.79 MARS1 (0.80) PRKACAMARS1QARS1ADORA3ADORA2A
Alasa SCHEMBL21067643 0.79 TARS1 (0.87) MARS1TARS1IARS1LARS1SARS1

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-2008124150-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-16 WO disclosed