SCHEMBL28964455

SCHEMBL28964455

CC(O)C(N)C(=O)NNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
NFKB1 P19838 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
PMP22 Q01453 1/20 0.56

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
SCHEMBL28964452 1.00 ADORA2A (0.56) ADORA2AADORA2BTP53CYP3A4TSHR
SCHEMBL453952 0.92 ADORA2A (0.57) ADORA2AADORA2BTP53CYP3A4TSHR
SCHEMBL29421357 0.92 ADORA2A (0.57) ADORA2AADORA2BTP53CYP3A4TSHR
SCHEMBL453954 0.92 ADORA2A (0.57) ADORA2AADORA2BTP53CYP3A4TSHR
SCHEMBL453953 0.92 ADORA2A (0.57) ADORA2AADORA2BTP53CYP3A4TSHR
SCHEMBL29047905 0.92 ADORA2A (0.60) ADORA2AADORA2BTP53CYP3A4TSHR
SCHEMBL29047902 0.92 ADORA2A (0.60) ADORA2AADORA2BTP53CYP3A4TSHR
SCHEMBL28659434 0.90 SLC29A1 (0.58) TP53CYP3A4TSHRALOX12NFKB1
SCHEMBL28659436 0.90 SLC29A1 (0.58) TP53CYP3A4TSHRALOX12NFKB1
SCHEMBL3692894 0.88 PRMT5 (0.60) ADORA2AADORA2BTP53CYP3A4TSHR

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-115768438-A Lipid nanoparticles for delivery of therapeutic agents to the lung 盖纳万科学有限公司 2023-03-07 CN disclosed