SCHEMBL29645520

SCHEMBL29645520

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccsc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
POLB P06746 3/20 0.42
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
THRB P10828 3/20 0.39
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HCRTR1 O43613 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29646128 0.86 MAPT (0.44) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645427 0.85 MAPT (0.45) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645743 0.84 GRM2 (0.39) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645834 0.84 ADORA3 (0.49) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645503 0.84 ADORA3 (0.49) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645888 0.84 MAPT (0.55) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645652 0.83 MAPT (0.42) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645625 0.83 MAPT (0.44) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645731 0.82 MAPT (0.44) MAPTPOLBRAD52SMARCA2KMT2A

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