SCHEMBL29953447

SCHEMBL29953447

Nc1cncc(OC2CC2)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
MAP4K4 O95819 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
PTPN1 P18031 1/20 0.31
RPS6KA5 O75582 1/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
ROCK1 Q13464 1/20 0.30
AKT3 Q9Y243 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL29957556 0.80 POLB (0.35) POLBMAP4K4
SCHEMBL29951686 0.78 MKNK1 (0.44) POLBMAP4K4MKNK1MKNK2
SCHEMBL29955580 0.77 POLB (0.37) POLBMAP4K4MKNK1MKNK2RPS6KA5
SCHEMBL29958343 0.76 ERN1 (0.35) POLBMAP4K4MKNK1MKNK2
SCHEMBL29955833 0.76 POLB (0.35) POLB
SCHEMBL29952128 0.75 MCHR1 (0.39) POLBPTPN1MCHR1
SCHEMBL7060307 0.74 PDE4B (0.42) POLB
SCHEMBL29958451 0.73 MAP4K4 (0.32) POLBMAP4K4
SCHEMBL7704346 0.73 PDE4D (0.41) POLB
SCHEMBL29952725 0.72 KAT2B (0.45) POLBMKNK1MKNK2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed