SCHEMBL24252229

SCHEMBL24252229

O=C1C=C(c2cccnn2)C(N2CCOCC2)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDE9A O76083 2/20 0.35
PIM1 P11309 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSD11B1 P28845 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
SCHEMBL24252374 0.90 ROCK2 (0.32) PDE9A
SCHEMBL24252370 0.88 ROCK2 (0.34)
SCHEMBL24252413 0.77 GSK3B (0.43) LRRK2GSK3B
SCHEMBL24252219 0.77 PRKDC (0.33) GSK3BPIM1
SCHEMBL24252215 0.73 PRMT5 (0.32)
SCHEMBL24252373 0.72 HDAC4 (0.33)
SCHEMBL24252217 0.69
SCHEMBL24252375 0.69 CYP2C8 (0.31)
SCHEMBL24252212 0.66 CTDSP1 (0.33)
SCHEMBL24252378 0.65 LMNA (0.35)

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-2022034203-A1 PROCESS FOR THE PREPARATION OF PYRIDAZINONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 WO disclosed