SCHEMBL30939814

SCHEMBL30939814

CCCCCCCCCCCCCCCCOCCCOP(=O)(OCOC(=O)OC(C)C)OC[C@H]1CC[C@](C#N)(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ FAP Q12884 1/20 0.31
▸ FGFR1 P11362 1/20 0.30

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
SCHEMBL31684092 0.86 TMPRSS2 (0.38) CYP3A4CYP2D6
SCHEMBL31684098 0.86 TMPRSS2 (0.38) CYP3A4CYP2D6
SCHEMBL31684218 0.86 TMPRSS2 (0.38) CYP3A4CYP2D6
SCHEMBL25977030 0.84 FGFR1 (0.35) CYP3A4CYP2D6FGFR1
SCHEMBL25977055 0.84 FGFR1 (0.35) CYP3A4CYP2D6FGFR1
SCHEMBL24304934 0.84 FGFR1 (0.35) CYP3A4CYP2D6FGFR1
SCHEMBL30939818 0.84 TMPRSS2 (0.30) —
SCHEMBL30939790 0.83 FAP (0.31) FAP
SCHEMBL30939791 0.83 — —
SCHEMBL31684150 0.83 TMPRSS2 (0.30) —

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-2024120464-A1 NUCLEOTIDE ANALOG, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2024-06-13 — — WO disclosed
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