SCHEMBL25782035

SCHEMBL25782035

C#Cc1c(C(N)=O)cc(OC[C@H]2CCCN2C(=O)OC(C)(C)C)c2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ F2RL3 Q96RI0 4/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ GPR119 Q8TDV5 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ PARP1 P09874 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
SCHEMBL25782151 0.81 ALOX5AP (0.44) ALOX5APFEN1F2RL3GPR119
SCHEMBL25283904 0.80 P2RX7 (0.43) ALOX5APFEN1F2RL3
SCHEMBL31140673 0.80 P2RX7 (0.43) ALOX5APFEN1F2RL3
SCHEMBL25245465 0.80 P2RX7 (0.43) ALOX5APFEN1F2RL3
SCHEMBL25241164 0.80 ALOX5AP (0.39) ALOX5APFEN1F2RL3CHEK2BRD4
SCHEMBL30478920 0.80 ALOX5AP (0.39) ALOX5APFEN1F2RL3CHEK2BRD4
SCHEMBL25285009 0.80 ALOX5AP (0.39) ALOX5APFEN1F2RL3CHEK2BRD4
SCHEMBL30478878 0.79 ALOX5AP (0.38) ALOX5APFEN1F2RL3BRD4IRAK4
SCHEMBL25236708 0.79 ALOX5AP (0.38) ALOX5APFEN1F2RL3BRD4IRAK4
SCHEMBL25283402 0.79 ALOX5AP (0.38) ALOX5APFEN1F2RL3BRD4IRAK4

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
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 — — WO disclosed
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