SCHEMBL29056207

SCHEMBL29056207

N#Cc1ccc(Nc2nc(SC(=O)C3CCC3)nc3c2SCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 13/20 0.50
▸ PDE4D Q08499 13/20 0.50
▸ PAX8 Q06710 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 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
SCHEMBL29056285 0.83 PDE4B (0.39) PDE4BPDE4DPAX8JAK2JAK1
SCHEMBL29056279 0.80 PDE4B (0.40) PDE4BPDE4DPAX8JAK2JAK1
SCHEMBL30542663 0.80 PDE4B (0.56) PDE4BPDE4D
SCHEMBL29056216 0.80 PDE4B (0.56) PDE4BPDE4D
SCHEMBL29056209 0.79 PDE4B (0.51) PDE4BPDE4DKDM4E
SCHEMBL30542622 0.79 PDE4B (0.51) PDE4BPDE4DKDM4E
SCHEMBL29056200 0.78 PDE4B (0.50) PDE4BPDE4DKDM4E
SCHEMBL30542648 0.78 PDE4B (0.50) PDE4BPDE4DKDM4ESYK
SCHEMBL29056268 0.78 PDE4B (0.54) PDE4BPDE4DKDM4ESYK
SCHEMBL30542629 0.78 PDE4B (0.50) PDE4BPDE4DKDM4E

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-116640095-A Diaryl amine derivative containing aliphatic carboxyl and preparation method and application thereof 山东大学 2023-08-25 — — CN disclosed
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