SCHEMBL29648696

SCHEMBL29648696

COc1ccc(-c2nc3c4ccccc4nc(N[C@@H]4CCCCNC4=O)n3n2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
THRB P10828 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPGDS O60760 3/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ZAP70 P43403 2/20 0.37
SYK P43405 2/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
PLAT P00750 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL22979080 1.00 MAPT (0.42) MAPTTHRBSMN1; SMN2RXFP1HPGDS
SCHEMBL29648645 0.91 THRB (0.41) MAPTTHRBSMN1; SMN2RXFP1HPGDS
SCHEMBL22981005 0.91 THRB (0.41) MAPTTHRBSMN1; SMN2RXFP1HPGDS
SCHEMBL29648778 0.89 THRB (0.40) MAPTTHRBSMN1; SMN2RXFP1HPGDS
SCHEMBL22979931 0.89 THRB (0.40) MAPTTHRBSMN1; SMN2RXFP1HPGDS
SCHEMBL29648684 0.89 THRB (0.40) MAPTTHRBSMN1; SMN2RXFP1HPGDS
SCHEMBL22979389 0.89 THRB (0.40) MAPTTHRBSMN1; SMN2RXFP1HPGDS
SCHEMBL29645817 0.89 MAPT (0.42) MAPTTHRBSMN1; SMN2RXFP1ALDH1A1
SCHEMBL22979401 0.89 MAPT (0.42) MAPTTHRBSMN1; SMN2RXFP1ALDH1A1
SCHEMBL22979543 0.89 THRB (0.39) MAPTTHRBSMN1; SMN2RXFP1HPGDS

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
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed