SCHEMBL8168358

SCHEMBL8168358

CN1CCCC1c1nc(-c2c[nH]c3ncc(C4CCCCC4)cc23)cs1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ IL2 P60568 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ERBB2 P04626 2/20 0.33
▸ EPHA2 P29317 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ EPHB4 P54760 2/20 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
SCHEMBL1801882 0.90 MAPK8 (0.51) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1801883 0.90 MAPK8 (0.51) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1801448 0.89 MAPK8 (0.48) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL8168360 0.89 MAPK8 (0.48) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1801449 0.89 MAPK8 (0.48) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL8175210 0.87 MAPK8 (0.59) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1795892 0.87 MAPK8 (0.59) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1795895 0.87 MAPK8 (0.59) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1796697 0.87 IL2 (0.44) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL8167255 0.85 MAPK8 (0.62) MAPK8MAPK9MAPK10IL2MAP4K1

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
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 — — WO disclosed
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