SCHEMBL29645571

SCHEMBL29645571

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cccc(O)c3)nn12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
TP53 P04637 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 2/20 0.44
HCRTR1 O43613 3/20 0.43
CSNK1D P48730 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
GAA P10253 2/20 0.42
ALPL P05186 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL29645760 0.90 MAPT (0.56) MAPTTP53RXFP1POLBHCRTR1
SCHEMBL29645834 0.89 ADORA3 (0.49) MAPTTP53POLBHCRTR1SMN1; SMN2
SCHEMBL29645458 0.88 MAPT (0.50) MAPTTP53RXFP1POLBSMN1; SMN2
SCHEMBL29645968 0.88 MAPT (0.48) MAPTTP53RXFP1POLBSMN1; SMN2
SCHEMBL29646003 0.86 MAPT (0.56) MAPTTP53RXFP1POLBSMN1; SMN2
SCHEMBL29645655 0.86 MAPT (0.42) MAPTTP53RXFP1POLBHCRTR1
SCHEMBL29645973 0.86 TP53 (0.46) MAPTTP53RXFP1POLBHCRTR1
SCHEMBL29645485 0.86 MAPT (0.44) MAPTTP53RXFP1POLBSMN1; SMN2
SCHEMBL29645881 0.86 RXFP1 (0.46) MAPTTP53RXFP1POLBSMN1; SMN2
SCHEMBL29645646 0.85 TP53 (0.44) MAPTTP53RXFP1POLBHCRTR1

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