SCHEMBL20366334

SCHEMBL20366334

C/N=C/c1ccc2c3c(n(C)c2c1)C(C)(C)c1cc(OC)c([S+]([O-])N(C)C)cc1C3=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.39
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL20004692 0.83 ALK (0.52) ALK
SCHEMBL24676221 0.69 ALK (0.51) ALKKDM4EALDH1A1SMN1; SMN2
SCHEMBL24675625 0.67 ALK (0.59) ALK
SCHEMBL24676875 0.66 ALK (0.73) ALK
SCHEMBL17636118 0.66 ALK (0.54) ALK
SCHEMBL20004658 0.66 ALK (0.51) ALK
SCHEMBL897714 0.66 ALK (0.57) ALK
SCHEMBL20004694 0.66 ALK (0.53) ALK
SCHEMBL21443191 0.65 ALK (0.64) ALK
SCHEMBL24675674 0.62 ALK (0.69) 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 2 patents. 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
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed