SCHEMBL27907367

SCHEMBL27907367

CN1CCC(CNc2c(S(C)(=O)=O)cnc3ccc(-c4ccccc4O)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MELK Q14680 16/20 0.49
JAK1 P23458 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
SSTR2 P30874 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL531021 0.86 MELK (0.62) MELKJAK1
SCHEMBL529490 0.81 MELK (0.44) MELKJAK1JAK2JAK3LMNA
SCHEMBL529446 0.80 MELK (0.75) MELK
SCHEMBL27925385 0.75 MELK (0.76) MELKSSTR2
SCHEMBL27907384 0.75 MELK (0.66) MELK
SCHEMBL27925443 0.71 MELK (0.75) MELK
SCHEMBL15190823 0.70 MELK (0.80) MELK
SCHEMBL27907374 0.70 MELK (0.76) MELKSSTR2
SCHEMBL15190916 0.69 MELK (0.81) MELK
SCHEMBL530446 0.68 MELK (0.89) MELK

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-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN disclosed