SCHEMBL2068697

SCHEMBL2068697

CCN(C(=O)c1ccc(Nc2ncc(-c3ccc(C(=O)O)cc3)n3ccnc23)cc1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 13/20 0.61
▸ FYN P06241 1/20 0.49
▸ TTK P33981 5/20 0.47
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43

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
SCHEMBL5576249 0.84 MAPKAPK5 (0.51) MAPKAPK5FYNTTKAURKA
SCHEMBL2068694 0.79 MAPKAPK5 (0.61) MAPKAPK5TTK
SCHEMBL4392693 0.77 MAPKAPK5 (0.68) MAPKAPK5FYNTTK
SCHEMBL5575558 0.77 MAPKAPK5 (0.49) MAPKAPK5FYNTTKAURKA
SCHEMBL4393746 0.76 MAPKAPK5 (0.72) MAPKAPK5TTK
SCHEMBL5576245 0.76 TTK (0.54) MAPKAPK5TTK
SCHEMBL5575646 0.76 MAPKAPK5 (0.48) MAPKAPK5FYNTTKAURKA
SCHEMBL2068099 0.76 MAPKAPK5 (1.00) MAPKAPK5FYNTTKAURKAAURKB
SCHEMBL14387503 0.72 MAPKAPK5 (0.82) MAPKAPK5FYNTTK
SCHEMBL10211808 0.71 MAPKAPK5 (0.81) MAPKAPK5FYNTTKAURKAAURKB

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
US-7893058-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 — — US claimed
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