SCHEMBL20004777

SCHEMBL20004777

CC1(C)c2cc(O[C@H]3COCC3O)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 1.00

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
SCHEMBL10283097 1.00 ALK (1.00) ALK
SCHEMBL898328 1.00 ALK (1.00) ALK
SCHEMBL16775687 1.00 ALK (1.00) ALK
SCHEMBL898069 0.89 ALK (0.86) ALK
SCHEMBL897716 0.84 ALK (1.00) ALK
SCHEMBL897867 0.84 ALK (1.00) ALK
SCHEMBL897717 0.84 ALK (1.00) ALK
SCHEMBL898430 0.83 ALK (0.89) ALK
SCHEMBL898160 0.81 ALK (0.75) ALK
SCHEMBL16775688 0.80 ALK (0.78) 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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed