SCHEMBL20866844

SCHEMBL20866844

N=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)OC(=N)c1ncc(C(F)(F)F)cc1NCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 13/20 0.48
▸ CCKAR P32238 10/20 0.48
▸ NOTCH1 P46531 4/20 0.39
▸ NOTCH3 Q9UM47 3/20 0.39
▸ RBPJ Q06330 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
SCHEMBL24611978 0.86 CCKBR (0.54) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL20866842 0.86 CCKBR (0.54) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL24611916 0.86 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24612270 0.86 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20867299 0.85 CCKBR (0.52) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20866815 0.85 CCKBR (0.49) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20867297 0.85 CCKBR (0.49) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24612150 0.83 CCKBR (0.49) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL24611948 0.83 CCKBR (0.56) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL20866843 0.83 CCKBR (0.46) CCKBRCCKARNOTCH1NOTCH3RBPJ

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
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