SCHEMBL11247503

SCHEMBL11247503

NCCOCn1cnc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.60
▸ NT5E P21589 1/20 0.59
▸ ADORA2A P29274 8/20 0.58
▸ ADORA1 P30542 4/20 0.58
▸ PI4KA P42356 3/20 0.58
▸ PI4K2B Q8TCG2 3/20 0.58
▸ PI4K2A Q9BTU6 3/20 0.58
▸ PI4KB Q9UBF8 3/20 0.58
▸ ADORA2B P29275 1/20 0.55
▸ FGFR1 P11362 1/20 0.53
▸ SLC22A6 Q4U2R8 1/20 0.53
▸ NSD3 Q9BZ95 4/20 0.51
▸ NSD2 O96028 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 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
SCHEMBL25306268 0.88 ENPP1 (0.61) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL10566016 0.87 ENPP1 (0.59) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL20096689 0.87 ADORA2A (0.66) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL2293269 0.87 ADORA2A (0.66) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL29385353 0.84 ADORA2A (0.57) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL18786971 0.84 ADORA2A (0.57) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL5065704 0.83 ADORA2A (0.59) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL9885880 0.83 ADORA2A (0.69) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL14425475 0.82 ENPP1 (0.61) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL20096700 0.82 ADORA2A (0.64) ENPP1NT5EADORA2AADORA1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360522-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-11-23 — — US disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 — — US disclosed
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 — — US disclosed
US-4199574-A Methods and compositions for treating viral infections and guanine acyclic nucleosides BURROUGHS WELLCOME CO. (US) 1980-04-22 — — US disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 — — US disclosed
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