SCHEMBL19908337

SCHEMBL19908337

Cc1ccc(Cl)cc1CN1CCNc2ncc(C(=O)NCc3cccnc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.49
PTGER1 P34995 3/20 0.48
ALK Q9UM73 2/20 0.46
NAMPT P43490 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1601872 0.92 ALDH1A1 (0.51) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL1601988 0.85 ALK (0.50) KDM4EALDH1A1MAPTGFERPTGER1
SCHEMBL1601076 0.84 ALK (0.49) KDM4EALDH1A1MAPTGFERALK
SCHEMBL12052509 0.83 ALK (0.50) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL1602279 0.83 ALK (0.49) KDM4EALDH1A1MAPTGLAGFER
SCHEMBL1601221 0.81 ALK (0.72) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL1600388 0.80 ALK (0.50) MAPTALKLMNAHPGDTSHR
SCHEMBL1601377 0.80 ALK (0.53) KDM4EALDH1A1MAPTGFERALK
SCHEMBL1600433 0.80 ALK (0.63) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL1602183 0.80 ALK (0.48) KDM4EALDH1A1MAPTGFERALK

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-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed