SCHEMBL5820059

SCHEMBL5820059

Cc1cc(-c2ccc(F)c(F)c2)nc(C)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
MAPK14 Q16539 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
XDH P47989 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5814391 0.84 ADORA2A (0.54) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL4064211 0.78 L3MBTL1 (0.71) L3MBTL1ALDH1A1KDM4EHPGDMAPT
Bromide SCHEMBL4074769 0.75 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4EGAAHPGD
Bromide SCHEMBL4074767 0.75 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4074773 0.73 L3MBTL1 (0.64) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL2324815 0.69 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL1411744 0.68 CNR2 (0.43) ALDH1A1CYP11B1CYP11B2KDM4EHPGD
SCHEMBL22208312 0.67 SQOR (0.77) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL4066614 0.67 KDM4E (0.64) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL107155 0.67 IL4 (0.61) L3MBTL1ALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO disclosed