SCHEMBL29259047

SCHEMBL29259047

NCC(=O)NC(=O)c1nc(N)c2[nH]cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 2/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ MGMT P16455 2/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ ENPP1 P22413 1/20 0.37
▸ PI4KA P42356 2/20 0.37
▸ PI4K2B Q8TCG2 2/20 0.37
▸ PI4K2A Q9BTU6 2/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ PNP P00491 1/20 0.37
▸ POLA1 P09884 2/20 0.36
▸ CDK2 P24941 1/20 0.35

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
SCHEMBL30928300 0.82 HDAC1 (0.38) GDAPDPK1KDRAURKBMGMT
SCHEMBL6045492 0.81 GDA (0.53) GDAPDPK1KDRAURKBMGMT
SCHEMBL31435111 0.80 GDA (0.51) GDAPDPK1KDRAURKBMGMT
SCHEMBL27461919 0.76 GDA (0.58) GDAPDPK1KDRAURKBMGMT
SCHEMBL1684049 0.76 GDA (0.58) GDAPDPK1KDRAURKBMGMT
SCHEMBL29509029 0.76 GDA (0.58) GDAPDPK1KDRAURKBMGMT
SCHEMBL3630347 0.75 GDA (0.56) GDAPDPK1KDRAURKBMGMT
SCHEMBL30107648 0.75 GDA (0.56) GDAPDPK1KDRAURKBMGMT
Zinc Ion SCHEMBL31405446 0.74 GDA (0.54) GDAPDPK1KDRAURKBMGMT
SCHEMBL9393667 0.72 PDPK1 (0.49) GDAPDPK1KDRAURKBMGMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119404-A Immunogenic LNP compositions and methods thereof 辉瑞公司 2024-05-31 — — CN disclosed
WO-2024076689-A2 SIZE-DISCRIMINATING NUCLEIC ACID-BINDING COMPLEXES AND METHODS OF USE THEREOF TRE TECHNOLOGIES LLC (US) 2024-04-11 — — WO disclosed
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