SCHEMBL8003196

SCHEMBL8003196

CC(C)CCn1ncc(C#N)c1N.CC(O)c1n[nH]c(N)c1C#N.CC(c1n[nH]c(N)c1C#N)C1CCCC1.CCCCn1ncc(C#N)c1N.Cn1ncc(C#N)c1N

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36

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
SCHEMBL7335692 0.75 PRKACA (0.38)
SCHEMBL7335690 0.69 PKM (0.38) PKM
SCHEMBL4758003 0.68 PKM (0.49) PKM
SCHEMBL4760141 0.66 PKM (0.50) PKM
SCHEMBL2073708 0.63 PKM (0.49) PKM
SCHEMBL4759856 0.63 PRKACA (0.41)
SCHEMBL1740693 0.62 PKM (0.48) PKM
SCHEMBL1742738 0.62 PKM (0.48) PKM
SCHEMBL1741752 0.62 PKM (0.48) PKM
SCHEMBL11899586 0.62 PKM (0.48) PKM

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-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed