SCHEMBL14182906

SCHEMBL14182906

CC1CCC(C(=O)Nc2ccc(-c3cc4cc(C(=O)Nc5cccnc5)ccc4[nH]3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ JAK2 O60674 1/20 0.48
▸ MAPKAPK2 P49137 5/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MAP2K1 Q02750 1/20 0.47
▸ NAMPT P43490 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ RPS6KA3 P51812 4/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ CLK3 P49761 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ RPS6KA2 Q15349 1/20 0.44

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
SCHEMBL14182913 0.91 KDM4E (0.52) GSK3AGSK3BJAK2MAPKAPK2NAMPT
SCHEMBL14182899 0.91 KDM4E (0.52) GSK3AGSK3BJAK2MAPKAPK2NAMPT
SCHEMBL14182715 0.90 RAB9A (0.50) GSK3AGSK3BSMN1; SMN2CLK2CLK3
SCHEMBL14182734 0.90 RAB9A (0.50) GSK3AGSK3BSMN1; SMN2CLK2CLK3
SCHEMBL14182907 0.90 ROCK2 (0.46) GSK3BJAK2MAPKAPK2NAMPTCLK2
SCHEMBL14182846 0.90 SLC2A1 (0.48) JAK2MAPKAPK2
SCHEMBL14182847 0.86 HDAC6 (0.47) MAPKAPK2
SCHEMBL14182848 0.86 KMT2A (0.50) GSK3BMAPKAPK2
SCHEMBL14182712 0.85 ALDH1A1 (0.47) GSK3BJAK2NAMPTCLK2CLK3
SCHEMBL14182911 0.84 VCP (0.51) GSK3BSMN1; SMN2SIRT2

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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