SCHEMBL19920466

SCHEMBL19920466

COc1cc(C)ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4O)c4c3OCC4)nc12

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.88

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
SCHEMBL18181787 0.94 ALK (1.00) ALK
SCHEMBL18181748 0.85 ALK (0.73) ALK
SCHEMBL18181637 0.84 ALK (0.84) ALK
SCHEMBL18181630 0.83 ALK (0.72) ALK
SCHEMBL18181635 0.83 ALK (1.00) ALK
SCHEMBL20127243 0.82 ALK (0.85) ALK
SCHEMBL18181640 0.79 ALK (0.73) ALK
SCHEMBL20127244 0.78 ALK (0.84) ALK
SCHEMBL18181629 0.77 ALK (0.74) ALK
SCHEMBL18181657 0.77 ALK (1.00) 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-3287463-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2018-02-28 — — EP disclosed
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