SCHEMBL29645868

SCHEMBL29645868

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(O)cc3F)nn12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ADK P55263 1/20 0.36
HCRTR1 O43613 3/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 5/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 2/20 0.35
ALPL P05186 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL29645702 0.91 MAPT (0.41) MAPTADKPOLBTP53KMT2A
SCHEMBL29645527 0.88 MAPT (0.41) MAPTADKPOLBTP53
SCHEMBL29646169 0.86 MAPT (0.37) MAPTADKHCRTR1POLBTP53
SCHEMBL29645893 0.86 MAPT (0.45) MAPTPOLBTP53KDM4EALDH1A1
SCHEMBL29645674 0.85 MAPT (0.41) MAPTADKPOLBTP53KMT2A
SCHEMBL29645638 0.85 MAPT (0.40) MAPTADKPOLBTP53KMT2A
SCHEMBL29645843 0.84 KMT2A (0.44) MAPTADKHCRTR1POLBTP53
SCHEMBL29645834 0.84 ADORA3 (0.49) MAPTHCRTR1POLBTP53KDM4E
SCHEMBL29645571 0.84 MAPT (0.46) MAPTHCRTR1POLBTP53KDM4E
SCHEMBL29645608 0.84 MAPT (0.40) MAPTADKPOLBTP53KMT2A

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 1 patent. 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