SCHEMBL6229864

SCHEMBL6229864

CC(C1CCCC1)C(O)(Cc1n[nH]c(N)c1C#N)n1ncc(C#N)c1N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
LPAR1 Q92633 1/20 0.31
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 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
SCHEMBL7335690 0.69 PKM (0.38) PKMLPAR1PRKACAPRKACGPRKACB
SCHEMBL8008525 0.65 PKM (0.32) PKMPRKACAPRKACGPRKACB
SCHEMBL5823747 0.63 PKM (0.49) PKMLPAR1
SCHEMBL4758516 0.62 PRKACA (0.42) PRKACAPRKACGPRKACB
SCHEMBL7335692 0.60 PRKACA (0.38) PRKACAPRKACGPRKACB
SCHEMBL810891 0.59 KDM4E (0.44) PKM
SCHEMBL31277867 0.59 PRKACA (0.37) PRKACAPRKACGPRKACB
SCHEMBL8645691 0.57 PRKACA (0.43) PRKACAPRKACGPRKACB
SCHEMBL31278209 0.57 PRKACA (0.43) PRKACAPRKACGPRKACB
SCHEMBL4758514 0.56 PKM (0.72) PKMLPAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499614-A4 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2005-08-24 EP disclosed
EP-1499614-A1 ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2005-01-26 EP disclosed
WO-2003095457-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-11-20 WO disclosed