SCHEMBL9417289

SCHEMBL9417289

Nc1ncnc2c1ncn2OCCOCP=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.43
▸ ADORA1 P30542 5/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ PI4KA P42356 5/20 0.42
▸ PI4K2B Q8TCG2 5/20 0.42
▸ PI4K2A Q9BTU6 5/20 0.42
▸ PI4KB Q9UBF8 5/20 0.42
▸ ENPP1 P22413 2/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ NSD3 Q9BZ95 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ ADORA2B P29275 2/20 0.40
▸ ADCY5 O95622 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL2932822 0.83 ADORA2A (0.46) ADORA2AADORA1FGFR1SLC22A6PI4KA
SCHEMBL29391225 0.81 FGFR1 (0.68) ADORA2AADORA1FGFR1SLC22A6ENPP1
SCHEMBL2107417 0.81 FGFR1 (0.68) ADORA2AADORA1FGFR1SLC22A6ENPP1
SCHEMBL3922476 0.80 ADORA2A (0.50) ADORA2AADORA1FGFR1SLC22A6PI4KA
SCHEMBL27818519 0.80 ADORA2A (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1920120 0.80 FGFR1 (0.67) ADORA2AADORA1FGFR1SLC22A6NSD2
SCHEMBL4298072 0.79 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9417160 0.77 SLC22A6 (0.50) ADORA2AADORA1FGFR1SLC22A6PI4KA
SCHEMBL23834271 0.75 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL27455290 0.75 ADORA2A (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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
EP-0319228-B1 Novel compounds BEECHAM GROUP PLC (GB) 1994-11-02 — — EP disclosed
EP-0319228-A2 Novel compounds BEECHAM GROUP PLC (GB) 1989-06-07 — — EP disclosed
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