SCHEMBL22979282

SCHEMBL22979282

COc1ccc(-c2nc3c4ccccc4nc(N[C@@H]4CNCCNC4=O)n3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
THRB P10828 2/20 0.53
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ADORA3 P0DMS8 6/20 0.47
XDH P47989 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 2/20 0.42
ALPL P05186 1/20 0.42
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41
RAD52 P43351 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL22979623 1.00 MAPT (0.53) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL29646155 1.00 MAPT (0.53) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL29645424 1.00 MAPT (0.53) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL22979865 1.00 MAPT (0.53) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL29645948 1.00 MAPT (0.53) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL22979166 0.91 MAPT (0.42) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL22988267 0.91 THRB (0.42) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL29645749 0.91 THRB (0.42) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL22988289 0.91 MAPT (0.43) MAPTTHRBPOLBKDM4EALDH1A1
SCHEMBL29645694 0.91 MAPT (0.43) MAPTTHRBPOLBKDM4EALDH1A1

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 4 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
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO claimed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed