SCHEMBL8325619

SCHEMBL8325619

CCOc1cc2c(Nc3cnc(O)nc3O)c(C(=O)O)c(CC)nc2nc1C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
XDH P47989 1/20 0.31
DPP4 P27487 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
STK4 Q13043 1/20 0.30
STK3 Q13188 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
SCHEMBL8329028 0.83 THRB (0.38) THRBMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL8670100 0.82 THRB (0.36) THRBXDHDPP4MEN1HTT
SCHEMBL8327888 0.79 MAPT (0.38) MEN1KMT2ASTK4
SCHEMBL8325615 0.79 THRB (0.47) THRBDPP4
Hydrochloric Acid SCHEMBL8323048 0.77 THRB (0.46) THRBDPP4
SCHEMBL8330323 0.77 MAPK8 (0.42)
SCHEMBL8328091 0.75 SYK (0.38) MEN1KMT2ASTK3
SCHEMBL8328465 0.73 PTGS2 (0.40) KMT2A
SCHEMBL8324245 0.66 TSHR (0.42) DPP4
SCHEMBL8329054 0.64 MAPT (0.42) MEN1KMT2A

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
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed