SCHEMBL6613383

SCHEMBL6613383

N#Cc1c(NC(=O)c2ccc(C(O)O)cc2)nc2ccccc2c1NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 13/20 0.47
TCF7L2 Q9NQB0 13/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
APP P05067 2/20 0.40
ACHE P22303 2/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL29371671 0.85 ADORA3 (0.53) CTNNB1TCF7L2KMT2APOLBRAD52
SCHEMBL5254988 0.85 ADORA3 (0.53) CTNNB1TCF7L2KMT2APOLBRAD52
SCHEMBL6648902 0.84 CTNNB1 (0.49) CTNNB1TCF7L2KMT2APOLBRAD52
SCHEMBL6480019 0.82 ADORA3 (0.48) CTNNB1TCF7L2KMT2APOLBRAD52
SCHEMBL6489855 0.82 ADORA3 (0.49) CTNNB1TCF7L2KMT2APOLBRAD52
SCHEMBL6479836 0.81 ALDH1A1 (0.54) KMT2APOLBMEN1ALDH1A1LMNA
SCHEMBL6479650 0.80 MEN1 (0.54) KMT2APOLBAPPMEN1USP2
SCHEMBL6480432 0.79 KISS1R (0.49) KMT2APOLBRAD52MEN1ALDH1A1
SCHEMBL5787889 0.78 MEN1 (0.39) CTNNB1TCF7L2KMT2APOLBMEN1
SCHEMBL940639 0.75 CTNNB1 (0.51) CTNNB1TCF7L2

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-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 EP claimed
WO-2002096879-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-SYNTHELABO (FR) 2002-12-05 WO claimed
EP-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 EP disclosed
WO-2002096879-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-SYNTHELABO (FR) 2002-12-05 WO disclosed