SCHEMBL1755855

SCHEMBL1755855

CC1(C)c2cc(OCC3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.62

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
SCHEMBL24676151 0.90 ALK (0.63) ALK
SCHEMBL7809073 0.89 ALK (0.77) ALK
Hydrochloric Acid SCHEMBL29963168 0.88 ALK (0.76) ALK
SCHEMBL7811155 0.88 ALK (0.75) ALK
Hydrochloric Acid SCHEMBL898014 0.88 ALK (0.76) ALK
SCHEMBL7802565 0.88 ALK (0.67) ALK
Hydrochloric Acid SCHEMBL897397 0.88 ALK (0.74) ALK
Hydrochloric Acid SCHEMBL29962713 0.88 ALK (0.74) ALK
SCHEMBL20366447 0.88 ALK (0.60) ALK
SCHEMBL7808869 0.85 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 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