SCHEMBL21901152

SCHEMBL21901152

Cc1cc(Nc2cc(C=N)c(N)cc2C#CC(C)C)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
LMNA P02545 1/20 0.34
TDO2 P48775 1/20 0.34
GRM4 Q14833 1/20 0.31

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
SCHEMBL21901147 0.86 MEN1 (0.30)
SCHEMBL29535923 0.71 GRM4 (0.39) GAAGFERLMNATDO2GRM4
SCHEMBL21901151 0.71 GRM4 (0.39) GAAGFERLMNATDO2GRM4
SCHEMBL21901192 0.71 GRM4 (0.43) GAAGFERLMNATDO2GRM4
SCHEMBL21901257 0.71 GRM4 (0.39) GAAGFERLMNATDO2GRM4
SCHEMBL21901867 0.71 GRM4 (0.43) GAAGFERLMNATDO2GRM4
SCHEMBL21901148 0.70
SCHEMBL23199536 0.68 PGK1 (0.30)
SCHEMBL23883875 0.68 ALDH1A1 (0.36) GAAGFERLMNAGRM4
SCHEMBL26321089 0.68

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
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 WO disclosed