SCHEMBL7812903

SCHEMBL7812903

CC1(C)c2cc(C(=O)NC[C@@H](O)CO)ccc2C(=O)c2c1[nH]c1cc(N)ccc21

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.59

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
SCHEMBL7803188 0.87 ALK (0.58) ALK
SCHEMBL897088 0.87 ALK (0.74) ALK
SCHEMBL29962696 0.87 ALK (0.74) ALK
SCHEMBL7811569 0.86 ALK (0.64) ALK
SCHEMBL7806841 0.85 ALK (0.79) ALK
SCHEMBL7811452 0.84 ALK (0.78) ALK
SCHEMBL7815216 0.83 ALK (0.68) ALK
SCHEMBL7814493 0.83 ALK (0.79) ALK
SCHEMBL7808867 0.83 ALK (0.78) ALK
SCHEMBL7817678 0.81 ALK (0.70) 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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed