SCHEMBL1755740

SCHEMBL1755740

Cn1c2c(c3ccc(N)cc31)C(=O)c1ccc(OC3CCN(S(C)(=O)=O)CC3)cc1C2(C)C

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.64
CYP2D6 P10635 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL898325 0.90 ALK (0.79) ALKCYP2D6HRH3
SCHEMBL897509 0.88 ALK (0.61) ALK
SCHEMBL24675625 0.87 ALK (0.59) ALKCYP2D6HRH3
SCHEMBL1755742 0.86 ALK (0.62) ALK
SCHEMBL7809260 0.84 ALK (0.64) ALK
SCHEMBL7810026 0.81 ALK (0.65) ALK
SCHEMBL20366614 0.79 ALK (0.80) ALK
SCHEMBL897399 0.78 ALK (1.00) ALK
SCHEMBL17434686 0.78 ALK (0.89) ALK
SCHEMBL20004584 0.77 ALK (0.62) 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 2 patents. 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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed