SCHEMBL7629045

SCHEMBL7629045

Nc1nc(NC2CC2)c2ncn(C[C@H]3C[C@H](P(=O)(O)O)O[C@@H]3F)c2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
NR1I2 O75469 1/20 0.45
ALB P02768 1/20 0.45
PDE4D Q08499 1/20 0.45
ABCB1 P08183 5/20 0.43
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
ADORA1 P30542 3/20 0.40
NT5E P21589 4/20 0.39

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
SCHEMBL7626931 1.00 POLB (0.53) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7620032 1.00 POLB (0.53) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7624212 1.00 POLB (0.53) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7621567 0.90 POLB (0.54) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7623831 0.90 POLB (0.54) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7622346 0.90 POLB (0.54) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7626001 0.90 POLB (0.54) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7618695 0.89 POLB (0.53) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7620019 0.89 POLB (0.53) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7617754 0.89 POLB (0.53) POLBNR1I2ALBPDE4DABCB1

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
US-6444656-B1 (5R)-(2-AMINO-6-HYDROXY-PURIN-9-YLMETHYL)-(4R)-AZIDO-TETRAHYDR O-FURAN-(2S)- PHOSPHONATE; PARTICULARLY AGAINST HIV AND/OR HBV INFECTIONS BIOCHEM PHARMA, INC. (CA) 2002-09-03 US claimed
US-6444656-B1 (5R)-(2-AMINO-6-HYDROXY-PURIN-9-YLMETHYL)-(4R)-AZIDO-TETRAHYDR O-FURAN-(2S)- PHOSPHONATE; PARTICULARLY AGAINST HIV AND/OR HBV INFECTIONS BIOCHEM PHARMA, INC. (CA) 2002-09-03 US disclosed