SCHEMBL24612361

SCHEMBL24612361

CN(Cc1cn(C2CC(F)(F)C2)nc1N1CCOCC1)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 15/20 0.41
▸ CCKAR P32238 3/20 0.38
▸ CCKBR P32239 2/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ NOTCH1 P46531 1/20 0.33
▸ RBPJ Q06330 1/20 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
SCHEMBL24612102 0.79 CBLB (0.46) CBLBCCKARCCKBRMEN1ALDH1A1
SCHEMBL24611903 0.78 CBLB (0.41) CBLBCCKARCCKBRMEN1ALDH1A1
SCHEMBL20098687 0.75 CBLB (0.43) CBLBCCKARCCKBRNOTCH1RBPJ
SCHEMBL24612393 0.75 CCKAR (0.44) CBLBCCKARCCKBRMEN1ALDH1A1
SCHEMBL24612157 0.74 CCKBR (0.42) CBLBCCKARCCKBRMEN1ALDH1A1
SCHEMBL24612360 0.74 CBLB (0.49) CBLBCCKARCCKBRNOTCH1RBPJ
SCHEMBL24612099 0.71 CBLB (0.41) CBLBCCKARCCKBRMEN1ALDH1A1
SCHEMBL24612152 0.70 BACE1 (0.42) CBLBCCKARCCKBRMEN1KMT2A
SCHEMBL24612093 0.70 CCKBR (0.42) CBLBCCKARCCKBRMEN1ALDH1A1
SCHEMBL22222950 0.68 CBLB (0.31) CBLBALDH1A1KMT2A

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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