SCHEMBL7618787

SCHEMBL7618787

Nc1nc(NC2CC2)c2ncn(C[C@@H]3CC[C@H](P(=O)(O)O)O3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
NR1I2 O75469 1/20 0.46
ALB P02768 1/20 0.46
PDE4D Q08499 1/20 0.46
ABCB1 P08183 5/20 0.44
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 3/20 0.43
NT5E P21589 4/20 0.40
YTHDC1 Q96MU7 1/20 0.38

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
SCHEMBL7619822 1.00 POLB (0.57) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7621668 1.00 POLB (0.57) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7622803 1.00 POLB (0.57) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7621697 1.00 POLB (0.57) POLBNR1I2ALBPDE4DABCB1
SCHEMBL7892380 0.86 CDK1 (0.47) POLBNT5E
SCHEMBL7897850 0.86 CDK1 (0.47) POLBNT5E
SCHEMBL7898316 0.86 CDK1 (0.47) POLBNT5E
SCHEMBL7891847 0.86 CDK1 (0.47) POLBNT5E
SCHEMBL7903265 0.85 HDAC6 (0.45) NT5E
SCHEMBL7898263 0.85 HDAC6 (0.45) NT5E

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-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