SCHEMBL23047656

SCHEMBL23047656

CCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC)OC[C@@H]1CC[C@](C)(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ RIPK1 Q13546 3/20 0.32
▸ POLRMT O00411 1/20 0.31
▸ FBP1 P09467 2/20 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
SCHEMBL18666838 0.89 CSNK2A2 (0.32) CSNK2A2CSNK2A1RIPK1POLRMTFBP1
SCHEMBL18666928 0.83 POLRMT (0.34) CSNK2A2CSNK2A1RIPK1POLRMTFBP1
SCHEMBL20762571 0.83 POLRMT (0.34) CSNK2A2CSNK2A1RIPK1POLRMTFBP1
SCHEMBL21284180 0.83 CYP3A4 (0.35) RIPK1
SCHEMBL24789459 0.82 RIPK1 (0.33) RIPK1POLRMT
SCHEMBL22393573 0.82 TMPRSS2 (0.32) RIPK1
SCHEMBL10154198 0.82 TMPRSS2 (0.36) CSNK2A2CSNK2A1RIPK1POLRMTFBP1
SCHEMBL22096277 0.81 AXL (0.30) —
SCHEMBL10154374 0.80 TMPRSS2 (0.33) CSNK2A2CSNK2A1RIPK1POLRMT
SCHEMBL14845681 0.79 TMPRSS2 (0.34) CSNK2A2CSNK2A1RIPK1POLRMT

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-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 — — EP disclosed
Send feedback