SCHEMBL29907727

SCHEMBL29907727

COC(=O)c1cnc(-c2ncco2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.45
GLRB P48167 1/20 0.45
MAPK1 P28482 2/20 0.41
CFTR P13569 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
LCK P06239 1/20 0.35
MAPK8 P45983 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33

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
SCHEMBL12248226 1.00 GLRA3 (0.45) GLRA3GLRBMAPK1CFTRBACE1
SCHEMBL29907677 0.81 KDM4E (0.40) BACE1KDM4EL3MBTL1KDM6BKDM5C
SCHEMBL29906724 0.80 SIRT6 (0.44) GLRA3GLRBCFTRBACE1LCK
SCHEMBL68869 0.76 MAPK1 (0.63) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL30114679 0.74 GLRA3 (0.46) GLRA3GLRBMAPK1CFTRMAPK8
SCHEMBL15896819 0.74 GLRA3 (0.56) GLRA3GLRBMAPK1CFTRKDM4E
SCHEMBL6467515 0.73 KDM4E (0.49) GLRA3GLRBMAPK1CFTRKDM4E
SCHEMBL3971624 0.73 ALDH1A1 (0.45) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL30163064 0.73 KDM4E (0.63) GLRA3GLRBCFTRKDM4EL3MBTL1
SCHEMBL29218201 0.73 KDM4E (0.63) GLRA3GLRBCFTRKDM4EL3MBTL1

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
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed