SCHEMBL29645665

SCHEMBL29645665

Cc1c(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cnn1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 7/20 0.39
POLB P06746 2/20 0.39
THRB P10828 3/20 0.39
TP53 P04637 2/20 0.37
RAD52 P43351 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
SMARCA2 P51531 1/20 0.36
KMT2A Q03164 1/20 0.36
UHRF1 Q96T88 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL29645846 0.86 GRM5 (0.33) KDM4EALDH1A1
SCHEMBL29645533 0.86 MAPT (0.41) ALDH1A1MAPTPOLBTHRBTP53
SCHEMBL29646149 0.86 RXFP1 (0.38) KDM4EALDH1A1MAPTPOLBTHRB
SCHEMBL29645597 0.85 TRPA1 (0.34)
SCHEMBL29645535 0.85 MAPT (0.39) MAPTPOLBTHRBTP53RAD52
SCHEMBL29645999 0.84 MAPT (0.40) KDM4EALDH1A1MAPTPOLBTHRB
SCHEMBL29645622 0.84 TP53 (0.38) MAPTPOLBTHRBTP53RAD52
SCHEMBL29645760 0.82 MAPT (0.56) KDM4EALDH1A1MAPTPOLBTHRB
SCHEMBL29645636 0.82 MAPT (0.47) ALDH1A1MAPTPOLBTHRBADORA3
SCHEMBL29645950 0.82 MAPT (0.41) MAPTPOLBTHRBTP53RAD52

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