SCHEMBL24612018

SCHEMBL24612018

CC(F)(F)c1nc(C(=N)OC(=N)NC2N=C(c3ccccc3)c3ccccc3NC2=O)c(N2CCCCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 12/20 0.44
▸ CCKAR P32238 10/20 0.44
▸ NOTCH1 P46531 3/20 0.43
▸ RBPJ Q06330 3/20 0.43
▸ CBLB Q13191 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
SCHEMBL24612166 0.93 CBLB (0.48) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL24612158 0.88 CCKBR (0.47) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL24612177 0.88 CBLB (0.47) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL24612058 0.86 CBLB (0.48) CCKBRCCKARCBLB
SCHEMBL20867212 0.86 CBLB (0.48) CCKBRCCKARCBLB
SCHEMBL20866861 0.85 CBLB (0.47) CCKBRCCKARCBLB
SCHEMBL20866887 0.85 CBLB (0.47) CCKBRCCKARCBLB
SCHEMBL24611902 0.84 CCKBR (0.42) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL24612292 0.83 CBLB (0.48) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL24612319 0.83 CBLB (0.47) CCKBRCCKARNOTCH1RBPJCBLB

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
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 — — EP disclosed
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