SCHEMBL14182913

SCHEMBL14182913

O=C(Nc1cccnc1)c1ccc2[nH]c(-c3ccc(NC(=O)C4CCCCC4)cc3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CLK2 P49760 6/20 0.52
▸ CLK3 P49761 6/20 0.52
▸ DYRK1A Q13627 6/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ ITK Q08881 1/20 0.49
▸ NAMPT P43490 3/20 0.49
▸ JAK2 O60674 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ MAPKAPK2 P49137 2/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ BCR P11274 1/20 0.46

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
SCHEMBL14182899 1.00 KDM4E (0.52) KDM4ETP53CLK2CLK3DYRK1A
SCHEMBL14182906 0.91 GSK3A (0.52) CLK2CLK3DYRK1AGSK3AGSK3B
SCHEMBL14182696 0.90 TP53 (0.55) KDM4ETP53CLK2CLK3DYRK1A
SCHEMBL14182730 0.90 TP53 (0.55) KDM4ETP53CLK2CLK3DYRK1A
SCHEMBL14182749 0.90 TP53 (0.55) KDM4ETP53CLK2CLK3DYRK1A
SCHEMBL14182631 0.90 TP53 (0.55) KDM4ETP53CLK2CLK3DYRK1A
SCHEMBL14182900 0.90 CLK2 (0.51) KDM4ETP53CLK2CLK3DYRK1A
SCHEMBL14182914 0.90 CLK2 (0.51) KDM4ETP53CLK2CLK3DYRK1A
SCHEMBL14183016 0.90 KCNK3 (0.56) CLK2CLK3DYRK1AITKMAOA
SCHEMBL14182902 0.90 KCNK3 (0.56) CLK2CLK3DYRK1AITKMAOA

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
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
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