SCHEMBL16689909

SCHEMBL16689909

C[C@]1(F)C(n2cnc3cnc(N)nc32)OC(COOc2ccccc2)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.41
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HINT1 P49773 1/20 0.32

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
SCHEMBL16689916 0.85 NT5E (0.45) NT5EADORA2AADORA2BHINT1
SCHEMBL16690095 0.85 NT5E (0.45) NT5EADORA2AADORA2BHINT1
SCHEMBL16690098 0.85 NT5E (0.45) NT5EADORA2AADORA2BHINT1
SCHEMBL16690090 0.84 NT5E (0.44) NT5EADORA2AADORA2BHINT1
SCHEMBL16690094 0.84 NT5E (0.44) NT5EADORA2AADORA2BHINT1
SCHEMBL16689915 0.84 NT5E (0.44) NT5EADORA2AADORA2BHINT1
SCHEMBL16690105 0.84 NT5E (0.44) NT5EADORA2AADORA2BHINT1
SCHEMBL16689919 0.80 HINT1 (0.48) NT5EHINT1
SCHEMBL16690082 0.80 HINT1 (0.48) NT5EHINT1
SCHEMBL18089876 0.78 CYP3A4 (0.64) NT5ECYP3A4CYP2C9

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-2015066370-A1 D-ALANINE PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-METHYL 2'-FLUORO GUANOSINE NUCLEOSIDE COMPOUNDS FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-05-07 — — WO disclosed
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