SCHEMBL29499779

SCHEMBL29499779

COc1ccc(CNc2ccc(Cl)nc2C(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.51
VNN1 O95497 3/20 0.48
AURKA O14965 2/20 0.47
RPS6KB1 P23443 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ASPH Q12797 2/20 0.46
KDM8 Q8N371 2/20 0.46
RIOX2 Q8IUF8 1/20 0.46
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA1 P78396 2/20 0.45
NCF1 P14598 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL23039888 1.00 CD38 (0.51) CD38VNN1AURKARPS6KB1KDM4E
SCHEMBL31361060 0.78 CD38 (0.52) CD38VNN1AURKARPS6KB1KDM4E
SCHEMBL2481240 0.77 KDM4E (0.56) CD38VNN1AURKARPS6KB1KDM4E
SCHEMBL29499805 0.74 TSHR (0.55) KDM4ENCF1ALDH1A1GAAMEN1
SCHEMBL23040086 0.74 TSHR (0.55) KDM4ENCF1ALDH1A1GAAMEN1
SCHEMBL23055296 0.74 ALDH1A1 (0.36) KDM4EL3MBTL1ALDH1A1GAAMEN1
SCHEMBL6103515 0.73 KDM4E (0.53) VNN1AURKARPS6KB1KDM4EASPH
SCHEMBL30590416 0.73 VNN1 (0.46) VNN1AURKARPS6KB1KDM4EASPH
SCHEMBL31139804 0.73 KDM4E (0.53) VNN1AURKARPS6KB1KDM4EASPH
SCHEMBL14957558 0.73 TUBB4A (0.55) VNN1AURKARPS6KB1KDM4EASPH

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
CN-114302884-B Substituted pyridopyrimidinone compounds useful as T cell activators 百时美施贵宝公司 2024-06-04 CN disclosed
EP-4021901-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2022-07-06 EP 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