SCHEMBL28891739

SCHEMBL28891739

Cc1cc(Nc2cc3ccc(C#N)cc3nc2C(N)=O)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ HRH4 Q9H3N8 4/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ SCN7A Q01118 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ EML4 Q9HC35 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR2A P28223 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
SCHEMBL28891629 0.87 SLC2A1 (0.47) SLC2A1AURKAEML4ALKADRA2A
SCHEMBL28891734 0.87 KDM4E (0.41) SLC2A1KDM4ETP53MAPK14EML4
SCHEMBL29875994 0.87 KDM4E (0.41) SLC2A1KDM4ETP53MAPK14EML4
SCHEMBL29875779 0.84 ADRA2A (0.41) SLC2A1KDM4ETP53AURKAHRH4
SCHEMBL28891616 0.84 ADRA2A (0.41) SLC2A1KDM4ETP53AURKAHRH4
SCHEMBL28891628 0.82 SLC2A1 (0.41) SLC2A1TP53AURKAEML4ALK
SCHEMBL28891635 0.80 SLC2A1 (0.41) SLC2A1TP53AURKAEML4ALK
SCHEMBL29875822 0.79 KDM4E (0.38) KDM4ETP53MAPK14EML4ALK
SCHEMBL28891852 0.74 EML4 (0.47) HRH4EML4ALK
SCHEMBL29876463 0.74 EML4 (0.47) HRH4EML4ALK

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-115197154-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-10-18 — — CN disclosed
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