SCHEMBL20866782

SCHEMBL20866782

N=C(N[C@@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O)OC(=N)c1ncc(C(F)(F)F)cc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 12/20 0.42
▸ RBPJ Q06330 6/20 0.42
▸ CCKAR P32238 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ CBLB Q13191 6/20 0.38
▸ NOTCH3 Q9UM47 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL20866783 1.00 NOTCH1 (0.42) NOTCH1RBPJCCKARCCKBRCBLB
SCHEMBL20866784 1.00 NOTCH1 (0.42) NOTCH1RBPJCCKARCCKBRCBLB
SCHEMBL20867088 0.90 CCKAR (0.50) CCKARCCKBRCBLB
SCHEMBL20867031 0.90 CCKAR (0.50) CCKARCCKBRCBLB
SCHEMBL24612257 0.89 NOTCH1 (0.39) NOTCH1RBPJCCKBRCBLBNOTCH3
SCHEMBL24612258 0.89 NOTCH1 (0.39) NOTCH1RBPJCCKBRCBLBNOTCH3
SCHEMBL20369883 0.85 CBLB (0.38) CCKARCCKBRCBLBKDM4EALDH1A1
SCHEMBL20370071 0.85 CBLB (0.38) CCKARCCKBRCBLBKDM4EALDH1A1
SCHEMBL20867288 0.85 CBLB (0.46) NOTCH1RBPJCCKARCCKBRCBLB
SCHEMBL20866780 0.85 CBLB (0.46) NOTCH1RBPJCCKARCCKBRCBLB

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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