SCHEMBL20004859

SCHEMBL20004859

CC(C)(O)OCCCOc1ccc2c(c1)C(C)(C)c1[nH]c3c(O)c(C#N)ccc3c1C2=O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.57

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
SCHEMBL20004171 0.92 ALK (0.69) ALK
SCHEMBL20004858 0.92 ALK (0.57) ALK
SCHEMBL20004730 0.91 ALK (0.59) ALK
SCHEMBL20004175 0.90 ALK (0.55) ALK
SCHEMBL20004788 0.89 ALK (0.64) ALK
SCHEMBL20004169 0.89 ALK (0.70) ALK
SCHEMBL20004845 0.88 ALK (0.71) ALK
SCHEMBL20004160 0.83 ALK (0.75) ALK
SCHEMBL896749 0.83 ALK (0.78) ALK
SCHEMBL898157 0.81 ALK (0.84) 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