SCHEMBL5066869

SCHEMBL5066869

Nc1nc(C(=O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OF

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
ADORA2B P29275 5/20 0.55
ADORA3 P0DMS8 7/20 0.55
ADORA1 P30542 6/20 0.55
CYP1A2 P05177 2/20 0.53
THPO P40225 1/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
BLM P54132 1/20 0.53
LMNA P02545 1/20 0.52
NT5E P21589 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL2343062 0.89 ADORA2A (0.67) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5794230 0.89 ADORA2A (0.67) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL7897993 0.89 ADORA2A (0.67) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL7525475 0.88 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5621712 0.85 P2RX3 (0.55) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL2531599 0.82 LMNA (0.63) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL6399918 0.80 ADORA2A (0.76) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL29135435 0.80 ADORA2A (0.76) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL18720690 0.79 LMNA (0.63) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL2345593 0.79 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1CYP1A2

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
US-20080032945-A1 2'-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed