SCHEMBL6648902

SCHEMBL6648902

CCOc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.49
TCF7L2 Q9NQB0 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
RPS27 P42677 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.44
RAD52 P43351 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL5254988 0.91 ADORA3 (0.53) CTNNB1TCF7L2KMT2AMEN1AURKA
SCHEMBL29371671 0.91 ADORA3 (0.53) CTNNB1TCF7L2KMT2AMEN1AURKA
SCHEMBL6613383 0.84 CTNNB1 (0.47) CTNNB1TCF7L2KMT2AMEN1LMNA
SCHEMBL6479650 0.83 MEN1 (0.54) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL6489855 0.81 ADORA3 (0.49) CTNNB1TCF7L2KMT2AMEN1AURKA
SCHEMBL2012739 0.80 ADORA2A (0.47) CTNNB1TCF7L2AURKAAURKBLMNA
SCHEMBL939862 0.80 ADORA2A (0.47) CTNNB1TCF7L2AURKAAURKBLMNA
SCHEMBL6480019 0.80 ADORA3 (0.48) CTNNB1TCF7L2KMT2AMEN1MAPK8
SCHEMBL939909 0.80 CTNNB1 (0.49) CTNNB1TCF7L2AURKAAURKBLMNA
SCHEMBL940842 0.79 FLT3 (0.47) CTNNB1TCF7L2AURKAAURKBLMNA

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-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