SCHEMBL29648922

SCHEMBL29648922

COc1ccc(-c2nc3c4c(C)cccc4nc(NC4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.39
MMP1 P03956 4/20 0.39
MMP3 P08254 4/20 0.39
MMP7 P09237 3/20 0.39
MMP13 P45452 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
ADORA3 P0DMS8 4/20 0.39
ADAM17 P78536 1/20 0.37
ADAM9 Q13443 1/20 0.37
PARP1 P09874 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL22988039 1.00 MMP9 (0.39) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22979796 1.00 MMP9 (0.39) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22988038 0.94 MAPT (0.42) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22988040 0.93 MMP9 (0.39) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22988056 0.93 MMP9 (0.38) MMP9MMP1MMP3MMP7MMP13
SCHEMBL25118861 0.93 MMP9 (0.38) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22987530 0.93 MMP9 (0.40) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22987677 0.92 MMP9 (0.38) MMP9MMP1MMP3MMP7MMP13
SCHEMBL22979870 0.91 MAPT (0.48) MMP9MMP1MMP3MMP7MMP13
SCHEMBL29646384 0.91 MAPT (0.48) MMP9MMP1MMP3MMP7MMP13

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 disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed