SCHEMBL20866811

SCHEMBL20866811

CC1(Nc2cc(C(F)(F)F)cnc2C(=N)OC(=N)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)CCOC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.48
▸ CCKAR P32238 6/20 0.48
▸ NOTCH1 P46531 4/20 0.40
▸ RBPJ Q06330 1/20 0.40
▸ CBLB Q13191 6/20 0.40
▸ NOTCH3 Q9UM47 3/20 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
SCHEMBL24612150 0.88 CCKBR (0.49) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL24611978 0.87 CCKBR (0.54) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL20866842 0.87 CCKBR (0.54) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL20867179 0.85 CCKAR (0.48) CCKBRCCKARNOTCH1CBLBNOTCH3
SCHEMBL24612270 0.84 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24611916 0.84 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20867036 0.84 CCKBR (0.53) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL24612042 0.84 CCKBR (0.53) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL20867088 0.83 CCKAR (0.50) CCKBRCCKARCBLB
SCHEMBL20867031 0.83 CCKAR (0.50) CCKBRCCKARCBLB

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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