SCHEMBL29499787

SCHEMBL29499787

Cn1c(=O)ncc2nc(C(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HDAC6 Q9UBN7 3/20 0.36
KDM4E B2RXH2 7/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P4HA1 P13674 1/20 0.36
MIF P14174 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL29549763 0.76 MGAM (0.44) MGAMALDH1A1ALOX15HPGDHSD17B10
SCHEMBL22453989 0.76 MGAM (0.44) MGAMALDH1A1ALOX15HPGDHSD17B10
SCHEMBL29499630 0.76 MEN1 (0.41) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL29911576 0.73 CYP1A2 (0.39) ALDH1A1HSD17B10MEN1KMT2ARAB9A
SCHEMBL29499653 0.72 DGKZ (0.36)
SCHEMBL30547717 0.71 MGAM (0.47) MGAMALDH1A1ALOX15HPGDHSD17B10
SCHEMBL30912106 0.71 MAPT (0.42) ALDH1A1HSD17B10KDM4EL3MBTL1MEN1
SCHEMBL29499648 0.68 RPS6KA5 (0.42) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL29499620 0.68 MTOR (0.37) ALDH1A1ALOX15HPGDHSD17B10TSHR
SCHEMBL2175934 0.67 MGAM (0.64) MGAMALDH1A1ALOX15HPGDHSD17B10

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-114302884-B Substituted pyridopyrimidinone compounds useful as T cell activators 百时美施贵宝公司 2024-06-04 CN disclosed
CN-114302884-A Substituted pyridopyrimidinone based compounds useful as T cell activators 百时美施贵宝公司 2022-04-08 CN disclosed