SCHEMBL3229703

SCHEMBL3229703

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(N)c2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.67
ADORA3 P0DMS8 7/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2B P29275 2/20 0.48
ADA P00813 1/20 0.46
ADK P55263 5/20 0.46
DOT1L Q8TEK3 2/20 0.46
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46
S1PR4 O95977 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46

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
SCHEMBL15241391 0.90 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL18200214 0.90 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL474796 0.90 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL873435 0.90 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL14544819 0.90 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL24837545 0.89 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL15241432 0.89 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADK
SCHEMBL731182 0.89 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL2786078 0.89 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADK
SCHEMBL474664 0.89 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADA

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-2010015637-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 WO disclosed
WO-2010015637-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 WO disclosed