SCHEMBL28420032

SCHEMBL28420032

COc1cc(C2CNCCO2)ccc1Nc1ncc2cccc(Br)c2n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.54

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
SCHEMBL28394159 0.85 ALK (0.55) ALK
SCHEMBL28887740 0.79 FGFR1 (0.53) ALK
SCHEMBL28384151 0.78 ALK (0.47) ALK
SCHEMBL28364826 0.75 EGFR (0.74) ALK
SCHEMBL29847169 0.75 TTK (0.75) ALK
SCHEMBL16513799 0.75 TTK (0.75) ALK
SCHEMBL28897622 0.74 — —
SCHEMBL28445773 0.72 — —
SCHEMBL4095995 0.72 ALK (0.51) ALK
SCHEMBL29847756 0.72 TTK (0.63) 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
CN-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
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