SCHEMBL24612099

SCHEMBL24612099

CN(Cc1ncc(C#N)cc1N1CCOCC1)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 9/20 0.41
▸ CCKBR P32239 2/20 0.41
▸ CCKAR P32238 1/20 0.41
▸ LRRK2 Q5S007 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ MST1 P26927 1/20 0.36
▸ STK4 Q13043 1/20 0.36
▸ STK3 Q13188 1/20 0.36
▸ STK26 Q9P289 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35

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
SCHEMBL24612393 0.88 CCKAR (0.44) CBLBCCKBRCCKARBACE1ALDH1A1
SCHEMBL24611903 0.77 CBLB (0.41) CBLBCCKBRCCKARBACE1ALDH1A1
SCHEMBL20866897 0.76 CCKBR (0.49) CBLBCCKBRCCKAR
SCHEMBL20866898 0.76 CCKBR (0.49) CBLBCCKBRCCKAR
SCHEMBL24612409 0.76 CCKBR (0.41) CBLBCCKBRCCKARBACE1ALDH1A1
SCHEMBL20098124 0.76 CCKBR (0.44) CBLBCCKBRCCKARLRRK2
SCHEMBL20098252 0.76 CCKBR (0.44) CBLBCCKBRCCKARLRRK2
SCHEMBL24612102 0.76 CBLB (0.46) CBLBCCKBRCCKARBACE1ALDH1A1
SCHEMBL24612057 0.73 CCKBR (0.46) CBLBCCKBRCCKARLRRK2MST1
SCHEMBL20098317 0.73 CCKBR (0.46) CBLBCCKBRCCKARLRRK2MST1

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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