SCHEMBL29645913

SCHEMBL29645913

O=c1nccccc1Nc1nc2ccc(F)cc2c2nc(-c3ccccc3F)nn12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
DHODH Q02127 8/20 0.38
DHFR P00374 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
MAPT P10636 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
SCHEMBL29645527 0.90 MAPT (0.41) MAPT
SCHEMBL29646093 0.89 MAT2A (0.38)
SCHEMBL29645674 0.89 MAPT (0.41) TDO2IDO2MAPT
SCHEMBL29645702 0.89 MAPT (0.41) MAPT
SCHEMBL29645764 0.88 ADORA3 (0.43) MAPT
SCHEMBL29645765 0.88 MAPT (0.39) MAPT
SCHEMBL29645988 0.83 MAPT (0.47) MAPT
SCHEMBL29645608 0.81 MAPT (0.40) DHODHMAPT
SCHEMBL29645868 0.81 MAPT (0.37) MAPT
SCHEMBL29645638 0.81 MAPT (0.40) MAPT

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