SCHEMBL29645893

SCHEMBL29645893

COc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
THRB P10828 3/20 0.45
GRM2 Q14416 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
TP53 P04637 2/20 0.38
ACP1 P24666 2/20 0.38
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL29645672 0.90 MAPT (0.46) MAPTTHRBRXFP1SMN1; SMN2POLB
SCHEMBL29645765 0.90 MAPT (0.39) MAPTTHRBRXFP1SMN1; SMN2ADORA3
SCHEMBL29645588 0.89 MAPT (0.43) MAPTTHRBRXFP1SMN1; SMN2POLB
SCHEMBL29645642 0.88 MAPT (0.43) MAPTTHRBRXFP1SMN1; SMN2POLB
SCHEMBL29645702 0.88 MAPT (0.41) MAPTRXFP1POLBADORA3TP53
SCHEMBL29645868 0.86 MAPT (0.37) MAPTRXFP1SMN1; SMN2POLBADORA3
SCHEMBL29645527 0.86 MAPT (0.41) MAPTPOLBTP53
SCHEMBL29646169 0.86 MAPT (0.37) MAPTTHRBRXFP1SMN1; SMN2POLB
SCHEMBL29645487 0.85 MAPT (0.59) MAPTTHRBRXFP1SMN1; SMN2POLB
SCHEMBL29646060 0.85 TP53 (0.47) MAPTTHRBRXFP1SMN1; SMN2POLB

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