SCHEMBL21766971

SCHEMBL21766971

CN(C)CCOc1cccc2c1C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.50
RXRA P19793 1/20 0.38
SRPK2 P78362 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
EML4 Q9HC35 1/20 0.37

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
SCHEMBL898103 0.85 ALK (0.69) ALKSRPK2SRPK1EML4
SCHEMBL29962304 0.85 ALK (0.69) ALKSRPK2SRPK1EML4
SCHEMBL1755908 0.84 ALK (0.50) ALK
SCHEMBL898280 0.81 ALK (0.68) ALKSRPK2SRPK1EML4
SCHEMBL29962592 0.81 ALK (0.68) ALKSRPK2SRPK1EML4
SCHEMBL10272638 0.80 ALK (0.75) ALK
SCHEMBL7810179 0.77 ALK (0.47) ALK
SCHEMBL20004950 0.76 NOS3 (0.38) ALK
SCHEMBL1703114 0.74 ALK (0.66) ALKSRPK2SRPK1EML4
SCHEMBL7810274 0.73 ALK (0.47) 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-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed