SCHEMBL5787889

SCHEMBL5787889

CN(C)c1ccc2nc(NC(=O)c3cccc(C(O)O)c3)c(C#N)c(NCc3ccccc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CTNNB1 P35222 5/20 0.38
TCF7L2 Q9NQB0 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
FLT3 P36888 2/20 0.37
POLB P06746 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL940639 0.85 CTNNB1 (0.51) CTNNB1TCF7L2
SCHEMBL940842 0.84 FLT3 (0.47) NPC1RAB9AMAPTLMNACTNNB1
SCHEMBL940614 0.83 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6613383 0.78 CTNNB1 (0.47) MEN1KMT2ALMNACTNNB1TCF7L2
SCHEMBL6489855 0.78 ADORA3 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL941803 0.76 ADORA2A (0.43) NPC1RAB9AMAPTLMNACTNNB1
SCHEMBL6479650 0.76 MEN1 (0.54) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL940906 0.76 ADORA2A (0.43) MEN1KMT2AMAPTLMNAHTT
SCHEMBL942090 0.74 MAPT (0.47) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL27683894 0.73 KDM4E (0.40) MEN1KMT2AMAPTLMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663982-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005009969-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2005-02-03 WO disclosed