SCHEMBL29287933

SCHEMBL29287933

CCCCCCCCCCCCCCCCC(S)(S)C[C@H](C(=O)CC)[C@H](O[C@H](C)Cn1cnc2c(N)ncnc21)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 15/20 0.53
▸ CYP2D6 P10635 14/20 0.53
▸ FGFR1 P11362 1/20 0.42
▸ FAP Q12884 1/20 0.42

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
SCHEMBL29287915 0.96 CYP3A4 (0.53) CYP3A4CYP2D6FGFR1FAP
SCHEMBL29287923 0.94 CYP3A4 (0.52) CYP3A4CYP2D6FGFR1FAP
SCHEMBL29287919 0.92 CYP3A4 (0.53) CYP3A4CYP2D6FGFR1FAP
SCHEMBL29287917 0.91 CYP3A4 (0.52) CYP3A4CYP2D6FGFR1FAP
SCHEMBL29287924 0.88 CYP3A4 (0.49) CYP3A4CYP2D6FGFR1
SCHEMBL29287935 0.87 CYP3A4 (0.59) CYP3A4CYP2D6FGFR1
SCHEMBL29287913 0.87 CYP3A4 (0.59) CYP3A4CYP2D6FGFR1
SCHEMBL29211968 0.84 CYP3A4 (0.59) CYP3A4CYP2D6FGFR1
SCHEMBL29211974 0.83 CYP3A4 (0.59) CYP3A4CYP2D6FGFR1
SCHEMBL29211964 0.75 CYP3A4 (0.61) CYP3A4CYP2D6

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
CN-109320553-A Novel nucleoside reverse transcriptase inhibitors for antiviral use 深圳市塔吉瑞生物医药有限公司 2019-02-12 — — CN disclosed
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