SCHEMBL20866741

SCHEMBL20866741

C[C@@H]1COCCN1c1cc(C#N)cnc1C(=N)OC(=N)NC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 15/20 0.52
▸ CCKBR P32239 2/20 0.46
▸ CCKAR P32238 3/20 0.41
▸ LRRK2 Q5S007 1/20 0.39

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
SCHEMBL20866897 0.90 CCKBR (0.49) CBLBCCKBRCCKAR
SCHEMBL20866898 0.90 CCKBR (0.49) CBLBCCKBRCCKAR
SCHEMBL20867209 0.89 CBLB (0.55) CBLBCCKBRCCKAR
SCHEMBL24612300 0.89 CBLB (0.52) CBLBCCKBRCCKAR
SCHEMBL20866736 0.89 CBLB (0.52) CBLBCCKBRCCKAR
SCHEMBL20867183 0.86 CBLB (0.49) CBLBCCKBRCCKARLRRK2
SCHEMBL20867291 0.86 CCKBR (0.48) CBLBCCKBRCCKAR
SCHEMBL20867298 0.83 CCKBR (0.48) CBLBCCKBRCCKAR
SCHEMBL24611979 0.83 CCKBR (0.48) CBLBCCKBRCCKAR
SCHEMBL20866746 0.83 CBLB (0.48) CBLBCCKBRCCKAR

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-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 — — WO disclosed
Send feedback