SCHEMBL29645858

SCHEMBL29645858

COc1ccc(-c2nc3c4c(C)cccc4nc(N[C@@H]4CNCCNC4=O)n3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
ADORA3 P0DMS8 10/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
XDH P47989 1/20 0.37
ADORA1 P30542 4/20 0.36
HPGDS O60760 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
ADORA2A P29274 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL22979963 1.00 MAPT (0.39) MAPTTHRBADORA3ALDH1A1POLB
SCHEMBL29645762 1.00 MAPT (0.39) MAPTTHRBADORA3ALDH1A1POLB
SCHEMBL22979906 1.00 MAPT (0.39) MAPTTHRBADORA3ALDH1A1POLB
SCHEMBL22988383 0.92 MAPT (0.41) MAPTTHRBADORA3ALDH1A1HPGDS
SCHEMBL29645495 0.92 MAPT (0.41) MAPTTHRBADORA3ALDH1A1HPGDS
SCHEMBL22979049 0.92 MAPT (0.39) MAPTTHRBADORA3ALDH1A1POLB
SCHEMBL29645844 0.92 MAPT (0.39) MAPTTHRBADORA3ALDH1A1POLB
SCHEMBL22979607 0.91 THRB (0.39) MAPTTHRBADORA3ALDH1A1POLB
SCHEMBL22979951 0.91 MAPT (0.39) MAPTTHRBADORA3ALDH1A1POLB
SCHEMBL25118717 0.91 THRB (0.39) MAPTTHRBADORA3ALDH1A1POLB

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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed