SCHEMBL29645802

SCHEMBL29645802

COc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
THRB P10828 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 3/20 0.45
RXFP1 Q9HBX9 4/20 0.45
PDE10A Q9Y233 1/20 0.44
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29645581 0.94 MAPT (0.51) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645770 0.90 MAPT (0.47) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645419 0.88 ABCG2 (0.47) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645668 0.87 MAPT (0.46) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645487 0.86 MAPT (0.59) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL31150092 0.86 TP53 (0.51) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29646003 0.85 MAPT (0.56) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29646060 0.84 TP53 (0.47) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645760 0.84 MAPT (0.56) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645730 0.83 MAPT (0.52) MAPTTHRBSMN1; SMN2TP53RXFP1

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