SCHEMBL7335692

SCHEMBL7335692

CC(O)c1n[nH]c(N)c1C#N.CC(c1n[nH]c(N)c1C#N)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
JAK3 P52333 1/20 0.32

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
SCHEMBL4758516 0.93 PRKACA (0.42) PRKACAPRKACGPRKACBJAK3
SCHEMBL4759856 0.84 PRKACA (0.41) PRKACAPRKACGPRKACB
SCHEMBL8003196 0.75 PKM (0.36)
SCHEMBL7335690 0.71 PKM (0.38) PRKACAPRKACGPRKACB
SCHEMBL15273450 0.63 CHUK (0.45) PRKACAPRKACGPRKACB
SCHEMBL4758470 0.62 CDK5 (0.41) PRKACAPRKACGPRKACB
Hydrogen Sulfide SCHEMBL28167473 0.61 GAA (0.31)
SCHEMBL16979104 0.60 PRKACA (0.35) PRKACAPRKACGPRKACB
SCHEMBL31278318 0.60 PRKACA (0.46) PRKACAPRKACGPRKACBJAK3
SCHEMBL15273365 0.60 PRKACA (0.42) PRKACAPRKACGPRKACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000015231-A1 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RESEARCH INC. (US) 2000-03-23 WO disclosed
WO-1995001356-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2 RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1995-01-12 WO disclosed