SCHEMBL8329028

SCHEMBL8329028

CCOc1cc2c(Nc3cnc(O)nc3O)c(C(=O)O)cnc2nc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
TP53 P04637 3/20 0.35
MAPT P10636 5/20 0.34
PAX8 Q06710 1/20 0.34
EGFR P00533 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
ERBB2 P04626 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL8670100 0.98 THRB (0.36) THRBTP53MAPTPAX8EGFR
SCHEMBL8325615 0.91 THRB (0.47) THRBTP53MAPTPAX8GAA
Hydrochloric Acid SCHEMBL8323048 0.89 THRB (0.46) THRBTP53MAPTPAX8GAA
SCHEMBL8325619 0.83 THRB (0.31) THRBMEN1HTTKMT2A
SCHEMBL8324245 0.79 TSHR (0.42) TP53MAPTKDM4E
SCHEMBL8328843 0.78 MEN1 (0.42) THRBMAPTPAX8EGFRMEN1
SCHEMBL8564146 0.78 CSF1R (0.50) THRBMAPTPAX8EGFRMEN1
SCHEMBL8329797 0.77 MAPK8 (0.44) THRBEGFRMEN1HTTKMT2A
SCHEMBL8560369 0.76 MAPT (0.44) MAPTPAX8KDM4E
SCHEMBL8330039 0.75 MAPT (0.44) MAPTPAX8EGFRERBB2KDM4E

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