SCHEMBL29645458

SCHEMBL29645458

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.44
THRB P10828 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 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
SCHEMBL31150031 0.92 MAPT (0.48) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645760 0.90 MAPT (0.56) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645503 0.89 ADORA3 (0.49) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645502 0.89 RXFP1 (0.41) MAPTRXFP1TP53THRB
SCHEMBL29645838 0.89 MAPT (0.43) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645571 0.88 MAPT (0.46) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645968 0.88 MAPT (0.48) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645625 0.88 MAPT (0.44) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645859 0.88 MAPT (0.44) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645485 0.88 MAPT (0.44) MAPTRXFP1TP53POLBTHRB

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