SCHEMBL20004115

SCHEMBL20004115

CC1(C)c2ccc(OCC[C@H](O)CO)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.84

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
SCHEMBL898304 0.91 ALK (1.00) ALK
SCHEMBL898307 0.91 ALK (1.00) ALK
SCHEMBL898306 0.91 ALK (1.00) ALK
SCHEMBL897163 0.87 ALK (0.85) ALK
SCHEMBL20004237 0.87 ALK (0.76) ALK
SCHEMBL10283149 0.86 ALK (0.77) ALK
SCHEMBL896662 0.84 ALK (0.87) ALK
SCHEMBL896707 0.84 ALK (0.87) ALK
SCHEMBL896660 0.84 ALK (0.87) ALK
SCHEMBL896663 0.84 ALK (0.87) 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 4 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-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 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