SCHEMBL4590672

SCHEMBL4590672

CCCc1nc(C#N)c(I)n1CCCCO

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TLR7 Q9NYK1 2/20 0.31
PPARG P37231 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
SCHEMBL1302344 0.71
SCHEMBL19181987 0.71 ALDH1A1 (0.36) ALDH1A1MAPK1TLR7
SCHEMBL19475484 0.69 ALDH1A1 (0.37) ALDH1A1MAPK1TLR7
SCHEMBL1301971 0.68 TLR7 (0.45) TLR7
SCHEMBL21369215 0.65 AGTR1 (0.42) ALDH1A1TLR7
SCHEMBL2043569 0.63 MAPK1 (0.38) ALDH1A1MAPK1
SCHEMBL1300750 0.61 TLR7 (0.41) ALDH1A1MAPK1TLR7PPARG
SCHEMBL10176962 0.58 PDE10A (0.34) ALDH1A1
SCHEMBL12234026 0.56 ALDH1A1 (0.35) ALDH1A1MAPK1
SCHEMBL21089365 0.56 TSHR (0.37) ALDH1A1

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-2008045543-A1 SUBSTITUTED 4H-IMIDAZO [4, 5, 1-IJ] [1, 6] NAPHTHYRIDINE-9-AMINES AND THEIR PHARMACEUTICAL USE COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-04-17 WO disclosed