SCHEMBL8717563

SCHEMBL8717563

Nc1ncnc2c1ncn2CCCCOCP(=O)(O)O

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.84
SLC22A6 Q4U2R8 2/20 0.84
ADCY5 O95622 4/20 0.60
ADORA2A P29274 4/20 0.59
CYP3A4 P08684 2/20 0.58
ENPP1 P22413 1/20 0.56
TRPM2 O94759 1/20 0.55
ADORA1 P30542 2/20 0.54
ABCB11 O95342 1/20 0.54
POLA1 P09884 1/20 0.54
POLG P54098 1/20 0.54
FAP Q12884 1/20 0.54
CYP2D6 P10635 1/20 0.52
ADORA2B P29275 1/20 0.51

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
SCHEMBL2352757 0.96 FGFR1 (0.86) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL49373 0.91 FGFR1 (1.00) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL29365535 0.91 FGFR1 (1.00) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL29115272 0.90 FGFR1 (0.97) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL28765885 0.90 FGFR1 (0.97) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL3643715 0.90 FGFR1 (0.97) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL439995 0.90 FGFR1 (0.97) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL28571494 0.90 FGFR1 (0.97) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL3639260 0.90 FGFR1 (0.97) FGFR1SLC22A6ADCY5ADORA2ACYP3A4
Adefovir SCHEMBL29064626 0.90 FGFR1 (0.97) FGFR1SLC22A6ADCY5ADORA2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854228-A Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-12-29 US disclosed
US-5650510-A VIRICIDES OR ANTITUMOR AGENTS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-07-22 US disclosed
EP-0269947-B2 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives ACAD OF SCIENCE CZECH REPUBLIC (CS) 1996-10-16 EP disclosed
US-4808716-A VIRICIDES OR CHEMICAL INTERMEDIATES CESKOSLOVENSKA AKADEMIC VED (CS) 1989-02-28 US disclosed
EP-0269947-A1 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1988-06-08 EP disclosed
EP-0206459-A2 9-(Phosphonylmethoxyalkyl) adenines, method for their preparation and their use Ceskoslovenska akademie ved (CS) 1986-12-30 EP disclosed