SCHEMBL29645425

SCHEMBL29645425

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
THRB P10828 1/20 0.37
ADORA3 P0DMS8 8/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
XDH P47989 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGDS O60760 3/20 0.33
ADORA1 P30542 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL22988281 1.00 MAPT (0.37) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645993 0.91 ADORA3 (0.33) MAPTADORA3XDHADORA1
SCHEMBL22987909 0.91 ADORA3 (0.33) MAPTADORA3XDHADORA1
SCHEMBL29648559 0.89 KDM4E (0.40) MAPTTHRBADORA3POLBKDM4E
SCHEMBL22979143 0.89 KDM4E (0.40) MAPTTHRBADORA3POLBKDM4E
SCHEMBL22979906 0.89 MAPT (0.39) MAPTTHRBADORA3POLBKDM4E
SCHEMBL22979049 0.89 MAPT (0.39) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645844 0.89 MAPT (0.39) MAPTTHRBADORA3POLBKDM4E
SCHEMBL22979963 0.89 MAPT (0.39) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645858 0.89 MAPT (0.39) MAPTTHRBADORA3POLBKDM4E

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