SCHEMBL29690149

SCHEMBL29690149

Cc1cc(N)ccc1-c1ccc(N)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.51
EIF2AK3 Q9NZJ5 1/20 0.47
FEN1 P39748 3/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
MAP3K11 Q16584 1/20 0.43
PIK3CD O00329 2/20 0.43
PDE10A Q9Y233 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
TNIK Q9UKE5 1/20 0.41
ALOX5AP P20292 1/20 0.41
TDO2 P48775 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL23044427 1.00 MAP4K4 (0.51) MAP4K4EIF2AK3FEN1NOS3NOS2
SCHEMBL4502041 0.84 EIF2AK3 (0.55) MAP4K4EIF2AK3FEN1NOS3NOS2
SCHEMBL3813235 0.81 NOS3 (0.52) MAP4K4EIF2AK3FEN1NOS3NOS2
SCHEMBL17805365 0.81 NOS3 (0.47) MAP4K4EIF2AK3FEN1NOS3NOS2
SCHEMBL8146040 0.80 ALDH1A1 (0.56) PDE10AALDH1A1KDM4EGAA
SCHEMBL17805344 0.79 GAA (0.48) MAP4K4EIF2AK3FEN1NOS3NOS2
SCHEMBL1256964 0.79 PIK3CD (0.52) MAP4K4FEN1MAP3K11PIK3CDMKNK1
SCHEMBL1256887 0.79 FEN1 (0.63) MAP4K4FEN1ALOX5APTDO2
SCHEMBL99566 0.78 ALDH1A1 (0.54) PDE10AALDH1A1KDM4EGAA
SCHEMBL16681203 0.78 NOS3 (0.52) MAP4K4EIF2AK3FEN1NOS3NOS2

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
CN-114585606-A PERK inhibiting compounds 希伯塞尔股份有限公司 2022-06-03 CN disclosed