SCHEMBL30928300

SCHEMBL30928300

NCC(=O)NC(=O)Nc1nc(C(=O)NC(=O)CN)nc2nc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ ENPP1 P22413 1/20 0.35
▸ GDA Q9Y2T3 1/20 0.34
▸ STAT3 P40763 2/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ NT5C2 P49902 1/20 0.33
▸ MGMT P16455 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ CDK1 P06493 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
SCHEMBL29259047 0.82 GDA (0.46) HDAC1HDAC2KDRAURKBENPP1
SCHEMBL17372610 0.80 NPC1 (0.56) HDAC1HDAC2NPC1RAB9ABRD4
SCHEMBL31599206 0.80 HDAC1 (0.40) HDAC1HDAC2KDRAURKBBRD4
SCHEMBL29638098 0.80 NPC1 (0.56) HDAC1HDAC2NPC1RAB9ABRD4
SCHEMBL545883 0.78 NPC1 (0.38) HDAC1HDAC2NPC1RAB9AKDR
SCHEMBL17372612 0.69 NPC1 (0.35) HDAC1HDAC2NPC1RAB9ABRD4
SCHEMBL38663949 0.68 BRD4 (0.58) HDAC1HDAC2NPC1RAB9ABRD4
SCHEMBL28960557 0.67 CYP1A2 (0.51) HDAC1HDAC2NPC1RAB9AKDR
SCHEMBL3134157 0.66 HDAC1 (0.43) HDAC1HDAC2NPC1RAB9AGDA
SCHEMBL17165346 0.65 PIK3CA (0.44) HDAC1HDAC2NPC1RAB9ABRD4

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-118119404-A Immunogenic LNP compositions and methods thereof 辉瑞公司 2024-05-31 — — CN disclosed
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