SCHEMBL29645581

SCHEMBL29645581

COc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
THRB P10828 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PDE10A Q9Y233 1/20 0.48
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
ABCG2 Q9UNQ0 4/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44

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
SCHEMBL29645802 0.94 MAPT (0.49) MAPTTHRBSMN1; SMN2PDE10ATP53
SCHEMBL29645770 0.93 MAPT (0.47) MAPTTHRBSMN1; SMN2PDE10ATP53
SCHEMBL31150092 0.92 TP53 (0.51) MAPTTHRBSMN1; SMN2PDE10ATP53
SCHEMBL29645419 0.90 ABCG2 (0.47) MAPTTHRBSMN1; SMN2PDE10ATP53
SCHEMBL29645487 0.89 MAPT (0.59) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29646003 0.88 MAPT (0.56) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29646060 0.87 TP53 (0.47) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645760 0.86 MAPT (0.56) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645730 0.85 MAPT (0.52) MAPTTHRBSMN1; SMN2TP53RXFP1
SCHEMBL29645859 0.85 MAPT (0.44) 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