SCHEMBL13723554

SCHEMBL13723554

Cc1c2c(c(C)c3c1C(C)(C)c1cc(-c4cc5cc(C#N)ccc5s4)sc1-3)C(C)(C)c1cc(-c3cc4cc(C#N)ccc4s3)sc1-2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 3/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK1B Q9Y463 1/20 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
SCHEMBL13723596 0.87 CLK1 (0.30) CLK1DYRK1ADYRK1B
SCHEMBL12711331 0.84 CYP2A6 (0.37) —
SCHEMBL12711311 0.75 — —
SCHEMBL13722922 0.73 CLK1 (0.30) CLK1DYRK1ADYRK1B
SCHEMBL13722743 0.71 TRPA1 (0.32) CLK1DYRK1ADYRK1B
SCHEMBL13723018 0.70 PGR (0.41) —
SCHEMBL12711618 0.70 CYP2A6 (0.36) —
SCHEMBL12711372 0.70 DRD2 (0.30) —
SCHEMBL12711303 0.69 ESR1 (0.37) —
SCHEMBL13722919 0.69 HDAC1 (0.37) —

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-2009099070-A1 ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-13 — — WO disclosed
Send feedback