SCHEMBL29645666

SCHEMBL29645666

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cccnn3)nn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
POLB P06746 4/20 0.39
THRB P10828 3/20 0.38
ADK P55263 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 2/20 0.36
RAD52 P43351 2/20 0.36
SMARCA2 P51531 1/20 0.36
UHRF1 Q96T88 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL29645760 0.85 MAPT (0.56) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645980 0.84 MAPT (0.41) MAPTPOLBTHRBADKADORA3
SCHEMBL29645608 0.84 MAPT (0.40) MAPTPOLBTHRBADKADORA3
SCHEMBL29645457 0.84 MAPT (0.41) MAPTPOLBTHRBADKADORA3
SCHEMBL29645786 0.83 MAPT (0.42) MAPTPOLBTHRBADKADORA3
SCHEMBL29645539 0.82 TGFBR1 (0.41) MAPTPOLBADKRXFP1
SCHEMBL29645427 0.82 MAPT (0.45) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645834 0.80 ADORA3 (0.49) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645527 0.80 MAPT (0.41) MAPTPOLBADKTP53
SCHEMBL29646402 0.79 ADK (0.42) MAPTPOLBADKTP53KMT2A

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