SCHEMBL5272719

SCHEMBL5272719

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COOCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.68
AHCY P23526 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
ADORA3 P0DMS8 2/20 0.64
ADORA2A P29274 2/20 0.64
ADORA2B P29275 2/20 0.64
SLC29A1 Q99808 2/20 0.64
DOT1L Q8TEK3 2/20 0.64
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
MAPK1 P28482 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
PI4K2A Q9BTU6 1/20 0.64

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
SCHEMBL622588 0.91 ADORA1 (0.69) ADORA1AHCYSMN1; SMN2ADORA3ADORA2A
SCHEMBL5276197 0.89 TRDMT1 (0.60) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL5271641 0.88 ADORA2A (0.58) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL109340 0.86 P2RY1 (0.72) ADORA1AHCYSMN1; SMN2P2RY1P2RY2
SCHEMBL6905464 0.86 ADORA1 (0.72) ADORA1AHCYSMN1; SMN2ADORA3ADORA2A
SCHEMBL1434032 0.86 ADORA1 (0.72) ADORA1AHCYSMN1; SMN2ADORA3ADORA2A
SCHEMBL22458248 0.86 ADORA1 (0.65) ADORA1AHCYSMN1; SMN2ADORA3ADORA2A
SCHEMBL1434130 0.85 ADORA1 (0.67) ADORA1AHCYSMN1; SMN2ADORA3ADORA2A
SCHEMBL3446755 0.85 ADORA1 (0.71) ADORA1AHCYSMN1; SMN2ADORA3ADORA2A
SCHEMBL2372390 0.85 ADORA1 (0.64) ADORA1AHCYSMN1; SMN2ADORA3ADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013165898-A2 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-11-07 WO disclosed
EP-1868628-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF POXVIRUS INFECTIONS Chimerix, Inc. (US) 2007-12-26 EP disclosed
WO-2006110655-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF POXVIRUS INFECTIONS CHIMERIX, INC. (US) 2006-10-19 WO disclosed
WO-1998016539-A1 NOVEL THERAPEUTICALLY ACTIVE ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1998-04-23 WO disclosed