SCHEMBL20004492

SCHEMBL20004492

CC1(C)c2cc(OCC(O)C(O)CO)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.87

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
SCHEMBL20356879 1.00 ALK (0.87) ALK
SCHEMBL17448453 1.00 ALK (0.87) ALK
SCHEMBL897771 1.00 ALK (0.87) ALK
SCHEMBL897163 0.93 ALK (0.85) ALK
SCHEMBL29962392 0.93 ALK (1.00) ALK
SCHEMBL897570 0.93 ALK (1.00) ALK
SCHEMBL896662 0.92 ALK (0.87) ALK
SCHEMBL896663 0.92 ALK (0.87) ALK
SCHEMBL896660 0.92 ALK (0.87) ALK
SCHEMBL20004321 0.89 ALK (0.81) 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 3 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
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed