SCHEMBL19650099

SCHEMBL19650099

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

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.31
▸ RIPK1 Q13546 3/20 0.31

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
SCHEMBL10142784 0.94 TMPRSS2 (0.31) TMPRSS2RIPK1
SCHEMBL14845667 0.94 TMPRSS2 (0.31) TMPRSS2RIPK1
Gs-6620 SCHEMBL10142658 0.89 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL18293556 0.89 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL14845668 0.89 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL18293537 0.89 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL14845666 0.89 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL10142654 0.89 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL10142646 0.89 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL14845664 0.89 CYP3A4 (0.41) RIPK1

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
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 — — EP disclosed
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