SCHEMBL1755964

SCHEMBL1755964

COc1cc(C)c(C(=O)c2c(C(C)C)[nH]c3cc(C#N)ccc23)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.47
FASN P49327 7/20 0.40
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1755801 0.80 CFB (0.40) ALK
SCHEMBL897625 0.70 ALK (0.73) ALK
SCHEMBL20004106 0.69 ALK (0.51) ALKFASNKCNH2
SCHEMBL17048315 0.67 ALK (0.54) ALK
SCHEMBL17048116 0.66 ALK (0.41) ALKHRH3
SCHEMBL17048360 0.65 ALK (0.95) ALK
SCHEMBL17048359 0.64 ALK (1.00) ALK
SCHEMBL18589164 0.62 ALK (0.45) ALKHRH3
SCHEMBL6715062 0.61 PANK3 (0.56)
SCHEMBL17048161 0.60 ALK (0.66) ALK

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
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed