SCHEMBL23199536

SCHEMBL23199536

CC(C)C#Cc1cc(N)c(C=N)cc1Cl

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 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
SCHEMBL21901148 0.81
SCHEMBL18534459 0.71 GAA (0.46)
SCHEMBL21901147 0.71 MEN1 (0.30)
SCHEMBL21901271 0.69 PGK1 (0.34) PGK1
SCHEMBL22873555 0.68 CSNK2A1 (0.41)
SCHEMBL21901152 0.68 GAA (0.35)
SCHEMBL1350225 0.62 TLR7 (0.35)
SCHEMBL20109373 0.59 CYP3A4 (0.48)
SCHEMBL22873716 0.59 POLB (0.33)
SCHEMBL11223381 0.59 KCNH2 (0.48)

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-2021067584-A1 METHODS OF TREATMENT FOR ALPHA-1 ANTITRYPSIN DEFICIENCY VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-08 WO disclosed