SCHEMBL29116496

SCHEMBL29116496

CC(O)C(N)C(=O)Nc1nc(C(N)=O)nc2nc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ BRAF P15056 2/20 0.35
▸ XDH P47989 1/20 0.35
▸ SRC P12931 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ MGMT P16455 1/20 0.33
▸ NEK2 P51955 1/20 0.33

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
SCHEMBL30454201 1.00 GDA (0.37) GDAMKNK1CYP1A2BRAFXDH
SCHEMBL31511878 0.82 CYP1A2 (0.49) GDACYP1A2BRAFXDHSMN1; SMN2
SCHEMBL29278770 0.82 CYP1A2 (0.49) GDACYP1A2BRAFXDHSMN1; SMN2
SCHEMBL29184343 0.80 BRD4 (0.53) MKNK1CYP1A2BRAFSMN1; SMN2NPC1
SCHEMBL31599206 0.77 HDAC1 (0.40) GDAMKNK1BRAFXDHSRC
SCHEMBL25349258 0.76 NUDT1 (0.32) XDH
SCHEMBL31360537 0.75 CYP1A2 (0.35) GDACYP1A2SMN1; SMN2CDK1CCNB1
SCHEMBL29002285 0.75 CYP1A2 (0.35) GDACYP1A2SMN1; SMN2CDK1CCNB1
SCHEMBL17372418 0.74 CYP1A2 (0.46) GDACYP1A2BRAFXDHSMN1; SMN2
SCHEMBL29638102 0.74 CYP1A2 (0.46) GDACYP1A2BRAFXDHSMN1; SMN2

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-118697900-A Method for preparing lipid nanoparticles 摩登纳特斯有限公司 2024-09-27 — — CN disclosed
CN-118076741-A Modified mRNA, modified non-coding RNA and uses thereof 布罗德研究所股份有限公司 2024-05-24 — — CN disclosed
CN-117159492-A Lipid nanoparticle containing sialic acid lipid derivative and application thereof 广州制高点医药科技有限公司 2023-12-05 — — CN disclosed
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