SCHEMBL20004786

SCHEMBL20004786

C/N=C\c1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC)c(F)cc1C3=O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.44

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
SCHEMBL21443222 0.90 ALK (0.48) ALK
SCHEMBL897638 0.82 ALK (0.63) ALK
SCHEMBL21443232 0.77 NCOA1 (0.31)
SCHEMBL25446834 0.76 ALK (0.61) ALK
SCHEMBL20004253 0.75 CA1 (0.32) ALK
SCHEMBL20366386 0.74 ALK (0.73) ALK
SCHEMBL20366607 0.74 ALK (0.62) ALK
SCHEMBL21443153 0.73 ALK (0.59) ALK
SCHEMBL20004266 0.73 ALK (0.61) ALK
SCHEMBL20366569 0.73 ALK (0.59) 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