SCHEMBL13667663

SCHEMBL13667663

C[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.51
▸ ADORA2A P29274 1/20 0.33
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ POLRMT O00411 1/20 0.32
▸ HSPA8 P11142 1/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ ACVRL1 P37023 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 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
Gs-441524 SCHEMBL10120689 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL10120691 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL22142944 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL24667691 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL15998246 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL24975226 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL22096285 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL23870459 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL22663744 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT
Gs-441524 SCHEMBL31174011 0.91 TMPRSS2 (0.60) TMPRSS2ADORA2ACDK5CDK5R1POLRMT

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-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — WO disclosed
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