SCHEMBL30363053

SCHEMBL30363053

N#C[C@@]1(c2cnc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.49
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ HSPA8 P11142 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ PI4KA P42356 2/20 0.33
▸ PI4K2B Q8TCG2 2/20 0.33
▸ DOT1L Q8TEK3 2/20 0.33
▸ PI4K2A Q9BTU6 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SLC28A1 O00337 1/20 0.33
▸ MAP3K7 O43318 1/20 0.33
▸ SLC28A2 O43868 1/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL30363078 0.88 TMPRSS2 (0.48) TMPRSS2
SCHEMBL17215154 0.88 TMPRSS2 (0.40) TMPRSS2CDK5CDK5R1ADORA3ADK
SCHEMBL19997390 0.86 TMPRSS2 (0.39) TMPRSS2ADORA3POLB
SCHEMBL14681868 0.85 TMPRSS2 (0.38) TMPRSS2
Gs-441524 SCHEMBL24667691 0.83 TMPRSS2 (0.60) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
Gs-441524 SCHEMBL15998246 0.83 TMPRSS2 (0.60) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
Gs-441524 SCHEMBL23870459 0.83 TMPRSS2 (0.60) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
Gs-441524 SCHEMBL22663744 0.83 TMPRSS2 (0.60) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
Gs-441524 SCHEMBL10120691 0.83 TMPRSS2 (0.60) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
Gs-441524 SCHEMBL10120689 0.83 TMPRSS2 (0.60) TMPRSS2CDK5CDK5R1HSPA8ADORA2A

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-113292565-B Nucleoside compound and preparation method and application thereof 浙江森科建设有限公司 2023-01-31 — — CN disclosed
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