SCHEMBL29645487

SCHEMBL29645487

COc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
THRB P10828 2/20 0.59
ADORA3 P0DMS8 7/20 0.52
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ACP1 P24666 2/20 0.45
TP53 P04637 2/20 0.44
ALPL P05186 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL29645943 0.92 MAPT (0.50) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645650 0.92 MAPT (0.50) MAPTTHRBADORA3POLBKDM4E
SCHEMBL31150038 0.92 MAPT (0.56) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645720 0.90 ADORA3 (0.57) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29646002 0.90 MAPT (0.48) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645491 0.90 MAPT (0.48) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29646074 0.90 MAPT (0.48) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29645760 0.90 MAPT (0.56) MAPTTHRBADORA3POLBKDM4E
SCHEMBL29646003 0.90 MAPT (0.56) MAPTTHRBPOLBKDM4ERXFP1
SCHEMBL29645441 0.90 MAPT (0.47) 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
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
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