SCHEMBL8326159

SCHEMBL8326159

CCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OCC)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
DYRK1A Q13627 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 3/20 0.48
GAA P10253 3/20 0.48
PAX8 Q06710 1/20 0.48
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 2/20 0.46
MELK Q14680 1/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
MC4R P32245 1/20 0.45
HTT P42858 1/20 0.45
PTK2B Q14289 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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 SCHEMBL8330067 0.99 MAPT (0.51) MAPTDYRK1ASMN1; SMN2TP53GAA
SCHEMBL8328001 0.89 MELK (0.47) MAPTDYRK1APAX8MELKMEN1
SCHEMBL8325775 0.89 MAPT (0.56) MAPTDYRK1ASMN1; SMN2TP53GAA
Hydrochloric Acid SCHEMBL8330855 0.88 MAPT (0.56) MAPTDYRK1ASMN1; SMN2TP53GAA
SCHEMBL8326195 0.88 DYRK1A (0.52) MAPTDYRK1ASMN1; SMN2TP53GAA
Hydrochloric Acid SCHEMBL8468762 0.87 DYRK1A (0.51) MAPTDYRK1ASMN1; SMN2TP53GAA
SCHEMBL8329418 0.87 MAPT (0.57) MAPTDYRK1ASMN1; SMN2TP53GAA
Hydrochloric Acid SCHEMBL8330455 0.87 MAPT (0.55) MAPTDYRK1ASMN1; SMN2TP53GAA
Hydrochloric Acid SCHEMBL8326208 0.86 MAPT (0.56) MAPTDYRK1ASMN1; SMN2TP53GAA
SCHEMBL8324456 0.84 MAPT (0.55) MAPTDYRK1ASMN1; SMN2TP53GAA

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 4 patents. 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
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed