SCHEMBL29646128

SCHEMBL29646128

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cnsc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
POLB P06746 3/20 0.42
THRB P10828 3/20 0.41
RAD52 P43351 2/20 0.41
SMARCA2 P51531 1/20 0.41
KMT2A Q03164 1/20 0.41
UHRF1 Q96T88 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
TP53 P04637 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HCRTR1 O43613 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL29645760 0.88 MAPT (0.56) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645427 0.87 MAPT (0.45) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645520 0.86 MAPT (0.44) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645731 0.84 MAPT (0.44) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645888 0.84 MAPT (0.55) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645834 0.84 ADORA3 (0.49) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645503 0.84 ADORA3 (0.49) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645606 0.83 MAPT (0.43) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645654 0.83 MAPT (0.43) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645625 0.83 MAPT (0.44) MAPTPOLBTHRBRAD52SMARCA2

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 2 patents. 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
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 disclosed