SCHEMBL25416384

SCHEMBL25416384

Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccn3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 15/20 0.68
▸ BECN1 Q14457 8/20 0.68
▸ PKM P14618 1/20 0.58
▸ CACNA1H O95180 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL14540890 0.90 BCL2 (0.68) BCL2BECN1PKMCACNA1H
SCHEMBL25414897 0.86 BCL2 (0.77) BCL2BECN1CACNA1H
SCHEMBL25415008 0.84 BCL2 (0.51) BCL2BECN1PKMCACNA1HSMN1; SMN2
SCHEMBL25560094 0.81 BCL2 (0.79) BCL2BECN1
SCHEMBL30370125 0.81 BCL2 (0.79) BCL2BECN1
SCHEMBL23269270 0.81 BCL2 (1.00) BCL2BECN1
SCHEMBL25560487 0.81 BCL2 (0.80) BCL2BECN1
SCHEMBL25417560 0.81 BCL2 (0.58) BCL2BECN1PKMCACNA1H
SCHEMBL30370413 0.81 BCL2 (0.80) BCL2BECN1
SCHEMBL25416369 0.80 BCL2 (0.57) BCL2BECN1PKMCACNA1HNPSR1

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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