SCHEMBL20867039

SCHEMBL20867039

N=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)OC(=N)c1cnc(C(F)(F)F)nc1N1CC2CCC(C1)O2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 6/20 0.45
▸ CCKBR P32239 5/20 0.45
▸ CBLB Q13191 9/20 0.44
▸ NOTCH1 P46531 5/20 0.41
▸ NOTCH3 Q9UM47 3/20 0.41
▸ RBPJ Q06330 2/20 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
SCHEMBL24611975 0.97 CCKAR (0.45) CCKARCCKBRCBLBNOTCH1NOTCH3
SCHEMBL20867208 0.85 CBLB (0.47) CCKARCCKBRCBLB
SCHEMBL20867184 0.85 CBLB (0.48) CCKARCCKBRCBLB
SCHEMBL20866910 0.83 CCKAR (0.49) CCKARCCKBRCBLBNOTCH1NOTCH3
SCHEMBL20866875 0.80 CCKBR (0.46) CCKARCCKBRCBLBNOTCH1RBPJ
SCHEMBL24612412 0.78 CCKAR (0.43) CCKARCCKBRCBLBNOTCH1NOTCH3
SCHEMBL20866633 0.78 CBLB (0.52) CCKARCCKBRCBLB
SCHEMBL20867099 0.78 CBLB (0.52) CCKARCCKBRCBLB
SCHEMBL24611923 0.78 CCKBR (0.51) CCKARCCKBRCBLB
SCHEMBL20867092 0.78 CBLB (0.42) 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
Send feedback