SCHEMBL29646384

SCHEMBL29646384

COc1ccc(-c2nc3c4ccccc4nc(NC4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
THRB P10828 1/20 0.48
ADORA3 P0DMS8 5/20 0.43
GAA P10253 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALPL P05186 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HCRTR1 O43613 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 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
SCHEMBL22979870 1.00 MAPT (0.48) MAPTTHRBADORA3GAATP53
SCHEMBL29648930 0.96 MAPT (0.45) MAPTTHRBADORA3GAATP53
SCHEMBL22987541 0.95 MAPT (0.43) MAPTTHRBADORA3GAATP53
SCHEMBL22987524 0.94 ADORA3 (0.42) MAPTTHRBADORA3SMN1; SMN2ADORA2A
SCHEMBL22987564 0.93 ADORA3 (0.44) MAPTTHRBADORA3GAATP53
SCHEMBL22987447 0.93 MAPT (0.43) MAPTTHRBADORA3GAATP53
SCHEMBL22987605 0.93 MAPT (0.41) MAPTTHRBADORA3GAATP53
SCHEMBL22987566 0.93 MAPT (0.41) MAPTTHRBADORA3GAATP53
SCHEMBL22987525 0.93 ADORA3 (0.45) MAPTTHRBADORA3GAASMN1; SMN2
SCHEMBL22979112 0.92 MAPT (0.49) MAPTTHRBGAATP53SMN1; SMN2

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
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 disclosed