SCHEMBL24612158

SCHEMBL24612158

N=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)OC(=N)c1nc(C(F)(F)F)sc1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 11/20 0.47
▸ CCKAR P32238 8/20 0.47
▸ NOTCH1 P46531 4/20 0.42
▸ RBPJ Q06330 3/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ CBLB Q13191 1/20 0.41
▸ NOTCH3 Q9UM47 1/20 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
SCHEMBL24612018 0.88 CCKBR (0.44) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL24612166 0.86 CBLB (0.48) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20867212 0.86 CBLB (0.48) CCKBRCCKARCBLB
SCHEMBL24612177 0.85 CBLB (0.47) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL24612034 0.85 CCKBR (0.52) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL24612058 0.84 CBLB (0.48) CCKBRCCKARCBLB
SCHEMBL24612304 0.84 CCKBR (0.42) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20867210 0.84 CCKBR (0.42) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20867217 0.84 CCKBR (0.42) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20866861 0.83 CBLB (0.47) 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
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 — — EP disclosed
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