SCHEMBL14425475

SCHEMBL14425475

Nc1ncnc2c1ncn2COCCOC=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.61
▸ NT5E P21589 1/20 0.60
▸ ADORA2A P29274 6/20 0.51
▸ ADORA1 P30542 3/20 0.51
▸ PI4KA P42356 2/20 0.51
▸ PI4K2B Q8TCG2 2/20 0.51
▸ PI4K2A Q9BTU6 2/20 0.51
▸ PI4KB Q9UBF8 2/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ AHCY P23526 5/20 0.50
▸ NSD2 O96028 1/20 0.49
▸ NSD3 Q9BZ95 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADCY5 O95622 1/20 0.47

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
SCHEMBL11257082 0.83 CDK1 (0.52) ENPP1NT5E
SCHEMBL25306268 0.82 ENPP1 (0.61) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL11247503 0.82 ENPP1 (0.60) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL10566016 0.81 ENPP1 (0.59) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL20096689 0.81 ADORA2A (0.66) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL2293269 0.81 ADORA2A (0.66) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL12379263 0.81 ENPP1 (0.60) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL9426463 0.80 ENPP1 (0.61) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL24617893 0.80 ENPP1 (0.61) ENPP1NT5EADORA2AADORA1PI4KA
SCHEMBL18786971 0.78 ADORA2A (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007106561-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES ALT SOLUTIONS, INC. (US) 2007-09-20 — — WO disclosed
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