SCHEMBL25415008

SCHEMBL25415008

Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3F)C(c3ccccn3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 4/20 0.51
▸ BECN1 Q14457 1/20 0.51
▸ CACNA1H O95180 4/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ PKM P14618 1/20 0.43
▸ BRAF P15056 2/20 0.43
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ NR3C2 P08235 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39

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
SCHEMBL25415207 0.88 BCL2 (0.59) BCL2BECN1CACNA1HCACNA1CMEN1
SCHEMBL25416384 0.84 BCL2 (0.68) BCL2BECN1CACNA1HMEN1KMT2A
SCHEMBL30369959 0.83 BCL2 (0.77) BCL2BECN1
SCHEMBL25560626 0.83 BCL2 (0.77) BCL2BECN1
SCHEMBL30370427 0.83 BCL2 (0.62) BCL2BECN1CACNA1HCACNA1C
SCHEMBL25560154 0.83 BCL2 (0.62) BCL2BECN1CACNA1HCACNA1C
SCHEMBL14540890 0.75 BCL2 (0.68) BCL2BECN1CACNA1HPKM
SCHEMBL25414897 0.72 BCL2 (0.77) BCL2BECN1CACNA1H
SCHEMBL30370125 0.68 BCL2 (0.79) BCL2BECN1
SCHEMBL23269270 0.68 BCL2 (1.00) BCL2BECN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081312-A1 SMALL MOLECULE INDUCERS OF AUTOPHAGY Vir Biotechnology, Inc. (US) 2023-05-11 — — WO disclosed
WO-2023081312-A1 SMALL MOLECULE INDUCERS OF AUTOPHAGY Vir Biotechnology, Inc. (US) 2023-05-11 — — WO disclosed
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