SCHEMBL22455447

SCHEMBL22455447

C=C(O/C(=N\C)N[C@@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O)c1nc(C2CC2)sc1-c1cnc(O)nc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 17/20 0.38
▸ RBPJ Q06330 11/20 0.38
▸ NOTCH3 Q9UM47 6/20 0.37
▸ CCKAR P32238 3/20 0.33
▸ CCKBR P32239 3/20 0.33

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
SCHEMBL22455528 0.77 NOTCH1 (0.40) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22459654 0.70 NOTCH1 (0.35) NOTCH1RBPJNOTCH3
SCHEMBL22459532 0.70 NOTCH1 (0.35) NOTCH1RBPJNOTCH3
SCHEMBL22459545 0.69 NOTCH1 (0.35) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22459564 0.69 NOTCH1 (0.35) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22459760 0.68 NOTCH1 (0.35) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22460060 0.68 NOTCH1 (0.35) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22459827 0.68 NOTCH1 (0.35) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22460010 0.68 NOTCH1 (0.34) NOTCH1RBPJNOTCH3
SCHEMBL22459815 0.68 NOTCH1 (0.34) NOTCH1RBPJNOTCH3

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-2020190935-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2020-09-24 — — WO disclosed
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