SCHEMBL29646004

SCHEMBL29646004

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cnn(C4CCC4)c3)nn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
RAD52 P43351 2/20 0.38
POLB P06746 2/20 0.38
THRB P10828 3/20 0.37
CLK2 P49760 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ALK Q9UM73 2/20 0.36
JAK2 O60674 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
TP53 P04637 1/20 0.35
SMARCA2 P51531 1/20 0.35
KMT2A Q03164 1/20 0.35
UHRF1 Q96T88 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
SCHEMBL29646080 0.96 MAPT (0.40) MAPTRAD52POLBTHRBALK
SCHEMBL29645493 0.93 ALK (0.46) ALK
SCHEMBL29646101 0.93 ALK (0.46) MAPTRAD52POLBTHRBALK
SCHEMBL29646064 0.92 RAD52 (0.45) MAPTRAD52POLBTHRBCLK2
SCHEMBL29645986 0.91 MAPT (0.39) MAPTRAD52POLBTHRBALK
SCHEMBL29645911 0.88 CLK2 (0.33) CLK2LRRK2ALKJAK2
SCHEMBL29645471 0.86 MAPT (0.40) MAPTRAD52POLBTHRBADORA3
SCHEMBL29645523 0.86 BRD4 (0.36) TP53
SCHEMBL29645782 0.86 MAPT (0.43) MAPTRAD52POLBTHRBALK
SCHEMBL29645998 0.84 MAPT (0.41) MAPTRAD52POLBTHRBADORA3

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