SCHEMBL24612412

SCHEMBL24612412

N=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)OC(=N)c1cnc(C(F)(F)F)nc1NCC1C=CCO1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 10/20 0.43
▸ CCKBR P32239 9/20 0.43
▸ NOTCH1 P46531 4/20 0.39
▸ NOTCH3 Q9UM47 3/20 0.39
▸ CBLB Q13191 4/20 0.38
▸ RBPJ Q06330 1/20 0.38

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
SCHEMBL24612173 0.85 CCKBR (0.46) CCKARCCKBRCBLB
SCHEMBL24611975 0.79 CCKAR (0.45) CCKARCCKBRNOTCH1NOTCH3CBLB
SCHEMBL20867039 0.78 CCKAR (0.45) CCKARCCKBRNOTCH1NOTCH3CBLB
SCHEMBL20866968 0.74 CCKBR (0.58) CCKARCCKBR
SCHEMBL20866699 0.73 CCKBR (0.61) CCKARCCKBRNOTCH1RBPJ
SCHEMBL24612045 0.72 CCKBR (0.74) CCKARCCKBR
SCHEMBL20866649 0.72 CCKBR (0.74) CCKARCCKBR
SCHEMBL20867015 0.72 CCKBR (0.58) CCKARCCKBR
SCHEMBL24612185 0.72 CCKBR (0.47) CCKARCCKBRCBLB
SCHEMBL20866819 0.71 CCKBR (0.63) CCKARCCKBR

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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