SCHEMBL29953815

SCHEMBL29953815

Nc1cnc(C=O)c(OC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAP4K4 O95819 1/20 0.31
KMO O15229 3/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
FEN1 P39748 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
SCHEMBL29951528 0.80 POLB (0.39) POLB
SCHEMBL29953293 0.79 MAP4K4 (0.42) POLBMAP4K4MKNK1MKNK2PDE4A
SCHEMBL29958512 0.78 HCAR3 (0.40) POLBKMOPDE4APDE4BPDE4C
SCHEMBL29955130 0.77 PDGFRB (0.35) POLBMAP4K4
SCHEMBL29955617 0.77 POLB (0.39) POLB
SCHEMBL30531824 0.75 POLB (0.49) POLBKMOMKNK1MKNK2PDE4A
SCHEMBL29950803 0.72 POLB (0.37) POLBMKNK1MKNK2PDE4APDE4B
SCHEMBL29951667 0.71 POLB (0.36) POLBMKNK1MKNK2PDE4APDE4B
SCHEMBL29957854 0.71 SCD (0.36) POLBKMOMKNK1MKNK2
SCHEMBL29955753 0.70 SCD (0.42) POLBKMOMKNK1MKNK2PDE4A

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