SCHEMBL20005091

SCHEMBL20005091

Cc1cnc2[nH]c(C#Cc3ccc(N(C)CCN(C)C)cc3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 0.58
MAPT P10636 7/20 0.58
AURKA O14965 1/20 0.32
BRD4 O60885 1/20 0.31
APP P05067 2/20 0.31
KIT P10721 1/20 0.31
NOS1 P29475 1/20 0.31
FGFR4 P22455 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL20004399 0.88 SNCA (0.75) SNCAMAPTAPPKITFGFR4
SCHEMBL22537877 0.86 SNCA (0.75) SNCAMAPTAURKAAPP
SCHEMBL22537701 0.81 SNCA (0.56) SNCAMAPTKIT
SCHEMBL21147095 0.79 SNCA (0.57) SNCAMAPTAPP
SCHEMBL22537820 0.78 SNCA (0.51) SNCAMAPTBRD4KIT
SCHEMBL20004669 0.78 SNCA (0.73) SNCAMAPTAPPKIT
SCHEMBL22537673 0.77 SNCA (0.55) SNCAMAPTAPP
SCHEMBL20004468 0.76 SNCA (0.71) SNCAMAPTAPP
SCHEMBL20004440 0.76 SNCA (0.71) SNCAMAPTAPPKIT
SCHEMBL20005159 0.75 SNCA (0.69) SNCAMAPTAPP

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-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed