SCHEMBL29081978

SCHEMBL29081978

Cc1cc(NC(=O)C(N)=O)cnc1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRMT1 Q99873 1/20 0.35
LCK P06239 2/20 0.35
RORC P51449 3/20 0.35
SYK P43405 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
NAMPT P43490 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL29477860 1.00 MAPKAPK2 (0.37) MAPKAPK2CA12CA1CA9MAP4K4
SCHEMBL30469723 0.88 PTPN11 (0.43) MAPKAPK2CA12CA1CA9MAP4K4
SCHEMBL29346060 0.88 CA12 (0.38) MAPKAPK2CA12CA1CA9MAP4K4
SCHEMBL24364158 0.88 PTPN11 (0.43) MAPKAPK2CA12CA1CA9MAP4K4
SCHEMBL29344652 0.87 CA12 (0.37) MAPKAPK2CA12CA1CA9MAP4K4
SCHEMBL24364781 0.86 MAPKAPK2 (0.39) MAPKAPK2MAP4K4PRMT1RORCSYK
SCHEMBL31590994 0.84 MAPT (0.45) RORC
SCHEMBL24364159 0.80 AR (0.37) MAPKAPK2LCKRORCSYK
SCHEMBL30469640 0.80 AR (0.37) MAPKAPK2LCKRORCSYK
SCHEMBL24364156 0.80 MAPKAPK2 (0.40) MAPKAPK2CA12CA1CA9MAP4K4

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-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN disclosed