SCHEMBL29645570

SCHEMBL29645570

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccsc3Cl)nn12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
THRB P10828 2/20 0.38
POLB P06746 4/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ADK P55263 1/20 0.35
RAD52 P43351 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
SMARCA2 P51531 1/20 0.34
UHRF1 Q96T88 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE7A Q13946 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL29645536 0.89 MAPT (0.39) MAPTTHRBPOLBKMT2AKDM4E
SCHEMBL29645636 0.88 MAPT (0.47) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL29646071 0.84 MAPT (0.45) MAPTTHRBPOLBALDH1A1ADK
SCHEMBL29645954 0.83 MAPT (0.41) MAPTTHRBPOLBADKADORA3
SCHEMBL29645743 0.83 GRM2 (0.39) MAPTTHRBPOLBKMT2AADK
SCHEMBL29645760 0.82 MAPT (0.56) MAPTTHRBPOLBKMT2AKDM4E
SCHEMBL29645430 0.82 NPC1 (0.48) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL29645843 0.82 KMT2A (0.44) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL29645527 0.82 MAPT (0.41) MAPTPOLBADK
SCHEMBL29645888 0.82 MAPT (0.55) MAPTTHRBPOLBKMT2ARAD52

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