SCHEMBL21974286

SCHEMBL21974286

CNc1ccc(C#Cc2ccc(N(C)C)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.47
SNCA P37840 5/20 0.47
MAPT P10636 3/20 0.43
APP P05067 3/20 0.43
MTOR P42345 2/20 0.41
PIK3CA P42336 1/20 0.41
GRM5 P41594 2/20 0.41

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
SCHEMBL14097067 0.80 MTOR (0.46) APPMTORPIK3CAGRM5
SCHEMBL484098 0.76 SNCA (0.53) ADKSNCAMAPTAPPGRM5
SCHEMBL770159 0.75 ALDH1A1 (0.65) ADKSNCAMAPTAPP
SCHEMBL10300053 0.75 ALDH1A1 (0.65) ADKSNCAMAPTAPP
SCHEMBL503281 0.74 MTOR (0.41) APPMTORPIK3CAGRM5
SCHEMBL30401857 0.71 KDM4E (0.46) MTORPIK3CA
SCHEMBL503729 0.71 HCAR3 (0.44) MAPTAPPMTORPIK3CAGRM5
SCHEMBL479494 0.71 KDM4E (0.46) MTORPIK3CA
SCHEMBL15839286 0.70 NNMT (0.56) MAPTAPPMTORPIK3CAGRM5
SCHEMBL22270753 0.70 MTOR (0.44) MTORPIK3CAGRM5

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
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed