SCHEMBL20867294

SCHEMBL20867294

COC1CN(c2cc(C(F)(F)F)cnc2C(=N)OC(=N)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 10/20 0.49
▸ CCKAR P32238 9/20 0.49
▸ NOTCH1 P46531 6/20 0.43
▸ RBPJ Q06330 3/20 0.43
▸ NOTCH3 Q9UM47 3/20 0.41
▸ CBLB Q13191 1/20 0.40

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
SCHEMBL20867175 0.93 CCKBR (0.48) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20867063 0.93 CCKBR (0.48) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL24612175 0.93 CCKBR (0.48) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20866910 0.90 CCKAR (0.49) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL24612196 0.89 CCKBR (0.50) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20866768 0.89 CCKBR (0.50) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20867269 0.89 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20867088 0.88 CCKAR (0.50) CCKBRCCKARCBLB
SCHEMBL20867031 0.88 CCKAR (0.50) CCKBRCCKARCBLB
SCHEMBL20867180 0.88 CCKBR (0.50) CCKBRCCKARNOTCH1RBPJ

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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