SCHEMBL4074773

SCHEMBL4074773

Br[Cu]Br.Cc1cc(-c2ccccc2)nc(C)c1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.64
ALDH1A1 P00352 4/20 0.61
ADORA1 P30542 7/20 0.51
ADORA2A P29274 6/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
SQOR Q9Y6N5 2/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4064211 0.94 L3MBTL1 (0.71) L3MBTL1ALDH1A1ADORA1ADORA2AMAPK1
Bromide SCHEMBL4074767 0.91 L3MBTL1 (0.68) L3MBTL1ALDH1A1ADORA1ADORA2AMAPK1
Bromide SCHEMBL4074769 0.91 L3MBTL1 (0.68) L3MBTL1ALDH1A1ADORA1ADORA2AMAPK1
SCHEMBL11937166 0.81 ADORA1 (0.71) L3MBTL1ALDH1A1ADORA1ADORA2AMAPK1
SCHEMBL5814391 0.78 ADORA2A (0.54) L3MBTL1ALDH1A1ADORA1ADORA2AKDM4E
SCHEMBL1320853 0.78 L3MBTL1 (0.68) L3MBTL1ALDH1A1ADORA1ADORA2AMAPK1
SCHEMBL4066436 0.78 L3MBTL1 (1.00) L3MBTL1ALDH1A1ADORA1ADORA2AMAPK1
SCHEMBL4068922 0.78 L3MBTL1 (0.68) L3MBTL1ALDH1A1ADORA1ADORA2AMAPK1
SCHEMBL28806889 0.78 ADORA1 (0.71) L3MBTL1ALDH1A1ADORA1ADORA2AKDM4E
SCHEMBL11731626 0.77 ALDH1A1 (0.81) L3MBTL1ALDH1A1ADORA1ADORA2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO disclosed