SCHEMBL24612042

SCHEMBL24612042

N=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)OC(=N)c1ncc(C(F)(F)F)cc1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 13/20 0.53
▸ CCKAR P32238 10/20 0.53
▸ NOTCH1 P46531 3/20 0.44
▸ NOTCH3 Q9UM47 1/20 0.44
▸ RBPJ Q06330 2/20 0.43

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
SCHEMBL20867036 1.00 CCKBR (0.53) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL24611948 0.88 CCKBR (0.56) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL20867269 0.88 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20867180 0.88 CCKBR (0.50) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20866850 0.87 CCKBR (0.48) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL24612077 0.87 CCKBR (0.48) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL24611978 0.87 CCKBR (0.54) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL20866842 0.87 CCKBR (0.54) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL20866910 0.86 CCKAR (0.49) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL24612036 0.86 CCKBR (0.53) 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
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 — — EP disclosed
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