SCHEMBL17009574

SCHEMBL17009574

Cc1cc2nc(N[C@H]3C[C@@H](O)C3)c(Cl)nc2cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 16/20 0.48
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP2D6 P10635 3/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
IRAK1 P51617 1/20 0.35
PGK1 P00558 1/20 0.33

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
SCHEMBL17009572 1.00 GPR6 (0.48) GPR6MKNK1MKNK2CYP2D6IRAK4
SCHEMBL15566210 0.86 GPR6 (0.50) GPR6CYP2D6PGK1
SCHEMBL17009593 0.82 GPR6 (0.48) GPR6CYP2D6
SCHEMBL17009563 0.78 GPR6 (0.51) GPR6
SCHEMBL17009559 0.78 GPR6 (0.51) GPR6
SCHEMBL17009562 0.78 GPR6 (0.51) GPR6
SCHEMBL17007727 0.74 GPR6 (0.47) GPR6PGK1
SCHEMBL16818337 0.74 ALDH1A1 (0.42) GPR6CYP2D6PGK1
SCHEMBL17009592 0.73 GPR6 (0.43) GPR6CYP2D6PGK1
SCHEMBL15566173 0.69 GPR6 (0.39) GPR6IRAK4PGK1

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
EP-3105230-A1 PYRIDOPYRAZINES MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2016-12-21 EP disclosed
WO-2015123505-A1 PYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 WO disclosed