SCHEMBL20866910

SCHEMBL20866910

N=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)OC(=N)c1ncc(C(F)(F)F)cc1N1CC2CCC(C1)O2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 9/20 0.49
▸ CCKBR P32239 9/20 0.49
▸ CBLB Q13191 1/20 0.41
▸ NOTCH1 P46531 6/20 0.41
▸ NOTCH3 Q9UM47 3/20 0.41
▸ RBPJ Q06330 3/20 0.41

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
SCHEMBL20866875 0.92 CCKBR (0.46) CCKARCCKBRCBLBNOTCH1RBPJ
SCHEMBL20867294 0.90 CCKBR (0.49) CCKARCCKBRCBLBNOTCH1NOTCH3
SCHEMBL20867092 0.90 CBLB (0.42) CCKARCCKBRCBLB
SCHEMBL20867269 0.89 CCKBR (0.51) CCKARCCKBRCBLBNOTCH1RBPJ
SCHEMBL20867031 0.89 CCKAR (0.50) CCKARCCKBRCBLB
SCHEMBL20867180 0.89 CCKBR (0.50) CCKARCCKBRNOTCH1RBPJ
SCHEMBL20867088 0.89 CCKAR (0.50) CCKARCCKBRCBLB
SCHEMBL24611979 0.88 CCKBR (0.48) CCKARCCKBRCBLB
SCHEMBL20867063 0.88 CCKBR (0.48) CCKARCCKBRCBLBNOTCH1NOTCH3
SCHEMBL20867298 0.88 CCKBR (0.48) CCKARCCKBRCBLB

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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