SCHEMBL20004156

SCHEMBL20004156

C/N=C/c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCN2CCOCC2)c(S(=O)(=O)N(C)C)cc1C3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.47
EGFR P00533 2/20 0.38
RET P07949 2/20 0.38
KDR P35968 2/20 0.38
IGF1R P08069 1/20 0.38
PDGFRB P09619 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
MST1R Q04912 1/20 0.38
TYRO3 Q06418 1/20 0.38
KCNH2 Q12809 1/20 0.38
ERBB4 Q15303 1/20 0.38
CCDC6 Q16204 1/20 0.38
GAK O14976 1/20 0.37
ACOX3 O15254 1/20 0.37
NR1I2 O75469 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
SCHEMBL24676417 0.88 ALK (0.48) ALKEGFRRETKDRGAK
SCHEMBL897918 0.86 ALK (0.65) ALKEGFRRETKDRGAK
SCHEMBL20004658 0.82 ALK (0.51) ALK
SCHEMBL20004648 0.78 ALK (0.57) ALKSRPK2SRPK1EML4
SCHEMBL897848 0.77 ALK (0.71) ALKSRPK2SRPK1EML4
SCHEMBL21443133 0.75 ALK (0.51) ALK
SCHEMBL20004231 0.75 ALK (0.51) ALKEGFRRETKDRGAK
SCHEMBL20366345 0.75 ALK (0.51) ALK
SCHEMBL24676288 0.74 ALK (0.61) ALKEGFRRETKDRGAK
SCHEMBL1755768 0.73 ALK (0.40) ALKEGFRRETKDRGAK

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 3 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
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed