SCHEMBL9703433

SCHEMBL9703433

Nc1ncnc2c1ncn2CCCOCP

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 3/20 0.65
ADORA2A P29274 7/20 0.63
ADORA1 P30542 3/20 0.58
ADORA2B P29275 1/20 0.58
FGFR1 P11362 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
NSD3 Q9BZ95 5/20 0.54
NSD2 O96028 4/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PI4KA P42356 1/20 0.54
PI4K2B Q8TCG2 1/20 0.54
PI4K2A Q9BTU6 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
PDE3A Q14432 1/20 0.53

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
SCHEMBL10516216 0.96 ADORA2A (0.62) ADCY5ADORA2AADORA1ADORA2BFGFR1
SCHEMBL382916 0.92 FGFR1 (0.66) ADORA2AADORA1ADORA2BFGFR1SLC22A6
SCHEMBL28195884 0.86 ADORA2A (0.72) ADCY5ADORA2AADORA1ADORA2BFGFR1
Water SCHEMBL28104849 0.85 ADORA2A (0.70) ADCY5ADORA2AADORA1ADORA2BFGFR1
SCHEMBL28195881 0.83 ADORA2A (0.71) ADCY5ADORA2AADORA1ADORA2BFGFR1
SCHEMBL8207464 0.83 ADORA2A (0.75) ADCY5ADORA2AADORA1ADORA2BFGFR1
SCHEMBL2352757 0.81 FGFR1 (0.86) ADCY5ADORA2AADORA1ADORA2BFGFR1
SCHEMBL11222112 0.80 ADORA2A (0.80) ADCY5ADORA2AADORA1ADORA2BNSD3
SCHEMBL2638945 0.79 ADORA2A (0.74) ADCY5ADORA2AADORA1ADORA2BNSD3
SCHEMBL67131 0.79 ADORA2A (0.74) ADCY5ADORA2AADORA1ADORA2BNSD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206459-B1 9-(PHOSPHONYLMETHOXYALKYL) ADENINES, METHOD FOR THEIR PREPARATION AND THEIR USE Ceskoslovenska akademie ved (CS) 1992-07-15 EP disclosed
US-4808716-A VIRICIDES OR CHEMICAL INTERMEDIATES CESKOSLOVENSKA AKADEMIC VED (CS) 1989-02-28 US disclosed
EP-0206459-A2 9-(Phosphonylmethoxyalkyl) adenines, method for their preparation and their use Ceskoslovenska akademie ved (CS) 1986-12-30 EP disclosed