SCHEMBL31599206

SCHEMBL31599206

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ XDH P47989 2/20 0.38
▸ ENPP1 P22413 1/20 0.37
▸ GDA Q9Y2T3 1/20 0.37
▸ SRC P12931 3/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ MGMT P16455 1/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ CDK1 P06493 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 0.80 HDAC1 (0.38) HDAC1HDAC2PDPK1JAK2FLT3
SCHEMBL38663949 0.77 BRD4 (0.58) HDAC1HDAC2MKNK1BRD4BRAF
SCHEMBL29116496 0.77 GDA (0.37) HDAC1HDAC2MKNK1XDHGDA
SCHEMBL30454201 0.77 GDA (0.37) HDAC1HDAC2MKNK1XDHGDA
SCHEMBL27461919 0.73 GDA (0.58) PDPK1KDRAURKBXDHGDA
SCHEMBL28141587 0.73 DPP4 (0.42) PDPK1MKNK1GDASRCMGMT
SCHEMBL29259047 0.70 GDA (0.46) HDAC1HDAC2PDPK1KDRAURKB
SCHEMBL17165346 0.69 PIK3CA (0.44) HDAC1HDAC2MKNK1XDHGDA
SCHEMBL31258318 0.69 PIK3CA (0.44) HDAC1HDAC2MKNK1XDHGDA
SCHEMBL17372610 0.68 NPC1 (0.56) HDAC1HDAC2MKNK1BRD4BRAF

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
WO-2025111430-A1 CHEMICAL MODIFICATIONS IN mRNA POLY(A) TAIL PRIME MEDICINE, INC. (US) 2025-05-30 — — WO disclosed
WO-2025111452-A2 CHEMICAL MODIFICATIONS IN PEgRNA and ngRNAs PRIME MEDICINE, INC. (US) 2025-05-30 — — WO disclosed
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