SCHEMBL29645786

SCHEMBL29645786

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cc[nH]n3)nn12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
THRB P10828 2/20 0.39
POLB P06746 3/20 0.38
ADK P55263 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
RAD52 P43351 2/20 0.35
SMARCA2 P51531 1/20 0.35
UHRF1 Q96T88 1/20 0.35
ALPL P05186 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 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 0.84 MAPT (0.56) MAPTTHRBPOLBRXFP1ADORA3
SCHEMBL29645745 0.84 PSEN1 (0.34)
SCHEMBL29645666 0.83 MAPT (0.40) MAPTTHRBPOLBADKRXFP1
SCHEMBL29645457 0.83 MAPT (0.41) MAPTTHRBPOLBADKRXFP1
SCHEMBL29645980 0.83 MAPT (0.41) MAPTTHRBPOLBADKRXFP1
SCHEMBL29645654 0.81 MAPT (0.43) MAPTTHRBPOLBRXFP1ADORA3
SCHEMBL29645942 0.80 MAPT (0.39) MAPTTHRBPOLBADKRXFP1
SCHEMBL29645430 0.80 NPC1 (0.48) MAPTTHRBPOLBADKADORA3
SCHEMBL29645843 0.80 KMT2A (0.44) MAPTTHRBPOLBADKADORA3
SCHEMBL29646402 0.79 ADK (0.42) MAPTPOLBADKTP53SMN1; 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 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