SCHEMBL29645903

SCHEMBL29645903

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(F)c(Cl)c3)nn12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 3/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 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
SCHEMBL29645859 0.92 MAPT (0.44) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645668 0.89 MAPT (0.46) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645888 0.88 MAPT (0.55) MAPTTHRBTP53POLBADORA3
SCHEMBL29645968 0.88 MAPT (0.48) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645655 0.87 MAPT (0.42) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645503 0.86 ADORA3 (0.49) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645458 0.86 MAPT (0.50) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645625 0.86 MAPT (0.44) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645760 0.85 MAPT (0.56) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645731 0.85 MAPT (0.44) MAPTTHRBRXFP1TP53POLB

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