SCHEMBL20866709

SCHEMBL20866709

C=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1NC(=N)OC(=N)c1sc(Br)cc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 16/20 0.42
▸ CCKAR P32238 4/20 0.34
▸ CCKBR P32239 2/20 0.33

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
SCHEMBL20866710 1.00 CBLB (0.42) CBLBCCKARCCKBR
SCHEMBL20867075 0.91 CBLB (0.52) CBLBCCKARCCKBR
SCHEMBL20866943 0.81 CBLB (0.41) CBLBCCKARCCKBR
SCHEMBL20866937 0.81 CBLB (0.41) CBLBCCKARCCKBR
SCHEMBL24611937 0.81 CBLB (0.39) CBLBCCKARCCKBR
SCHEMBL20866901 0.80 CBLB (0.51) CBLBCCKARCCKBR
SCHEMBL20867181 0.80 CBLB (0.51) CBLBCCKARCCKBR
SCHEMBL20867049 0.80 CBLB (0.38) CBLBCCKARCCKBR
SCHEMBL20867048 0.80 CBLB (0.38) CBLBCCKARCCKBR
SCHEMBL20867061 0.80 CBLB (0.42) CBLBCCKARCCKBR

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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