SCHEMBL20366605

SCHEMBL20366605

CN1CCC(Oc2ccc3c(c2)C(C)(C)c2[nH]c4cc(Br)ccc4c2C3=O)CC1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.75

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
SCHEMBL20004778 0.91 ALK (0.73) ALK
SCHEMBL897750 0.90 ALK (0.79) ALK
SCHEMBL897596 0.90 ALK (0.83) ALK
SCHEMBL7811289 0.90 ALK (0.64) ALK
SCHEMBL17434484 0.89 ALK (0.81) ALK
SCHEMBL898160 0.89 ALK (0.75) ALK
SCHEMBL898430 0.88 ALK (0.89) ALK
SCHEMBL897265 0.86 ALK (0.83) ALK
SCHEMBL898197 0.86 ALK (1.00) ALK
SCHEMBL898251 0.85 ALK (0.79) 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-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed