SCHEMBL29645657

SCHEMBL29645657

Cc1n[nH]c(C)c1-c1nc2c3ccccc3nc(Nc3ccccnc3=O)n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 3/20 0.38
THRB P10828 2/20 0.38
RAD52 P43351 2/20 0.36
TP53 P04637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
KMT2A Q03164 2/20 0.35
SMARCA2 P51531 1/20 0.35
UHRF1 Q96T88 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADK P55263 1/20 0.35
MEN1 O00255 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
SCHEMBL29645950 0.85 MAPT (0.41) MAPTRXFP1POLBTHRBRAD52
SCHEMBL29645622 0.83 TP53 (0.38) MAPTRXFP1POLBTHRBRAD52
SCHEMBL29645760 0.82 MAPT (0.56) MAPTRXFP1POLBTHRBRAD52
SCHEMBL29645533 0.81 MAPT (0.41) MAPTRXFP1POLBTHRBRAD52
SCHEMBL29645535 0.80 MAPT (0.39) MAPTRXFP1POLBTHRBRAD52
SCHEMBL29645786 0.80 MAPT (0.42) MAPTRXFP1POLBTHRBRAD52
SCHEMBL29645980 0.79 MAPT (0.41) MAPTRXFP1POLBTHRBRAD52
SCHEMBL29645942 0.78 MAPT (0.39) MAPTRXFP1POLBTHRBRAD52
SCHEMBL29645527 0.77 MAPT (0.41) MAPTPOLBTP53LMNAADK
SCHEMBL29645430 0.77 NPC1 (0.48) MAPTPOLBTHRBRAD52TP53

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