SCHEMBL22455528

SCHEMBL22455528

C=C(O/C(=N\C)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O)c1c(C)cc(C(F)(F)F)cc1-c1cnc(C2CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 19/20 0.40
▸ RBPJ Q06330 9/20 0.40
▸ NOTCH3 Q9UM47 10/20 0.39
▸ CCKAR P32238 1/20 0.37
▸ CCKBR P32239 1/20 0.37

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
SCHEMBL22455447 0.77 NOTCH1 (0.38) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22440656 0.76 CCKBR (0.43) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22440657 0.76 CCKBR (0.43) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22455437 0.74 CCKBR (0.48) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22459818 0.72 NOTCH1 (0.37) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22440655 0.69 NOTCH1 (0.38) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL18167317 0.68 NOTCH1 (0.56) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL27100116 0.67 NOTCH1 (0.36) NOTCH1RBPJNOTCH3CCKBR
SCHEMBL22455408 0.67 NOTCH1 (0.36) NOTCH1RBPJNOTCH3CCKARCCKBR
SCHEMBL22460059 0.67 NOTCH1 (0.38) NOTCH1RBPJNOTCH3CCKARCCKBR

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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