SCHEMBL3824477

SCHEMBL3824477

CC1(C)CN(Cc2cc(F)ccc2F)c2cc(-c3cc[c]cc3)cnc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.47
TNIK Q9UKE5 1/20 0.33
ROCK2 O75116 5/20 0.33
JAK2 O60674 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
ABL1 P00519 2/20 0.33
LCK P06239 2/20 0.33
CSF1R P07333 2/20 0.33
RET P07949 2/20 0.33
MET P08581 2/20 0.33
FGFR1 P11362 2/20 0.33
LTK P29376 2/20 0.33
FLT3 P36888 2/20 0.33
PTK2 Q05397 2/20 0.33
MAP4K2 Q12851 2/20 0.33
NTRK2 Q16620 2/20 0.33
TAOK1 Q7L7X3 2/20 0.33
AURKB Q96GD4 2/20 0.33
MAP4K5 Q9Y4K4 2/20 0.33

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
SCHEMBL1601371 0.83 ALK (0.43) ALKTNIKROCK2PLA2G7HTR6
SCHEMBL19908262 0.81 ALK (0.54) ALKROCK2NTRK1
SCHEMBL1601642 0.80 ALK (0.51) ALKMETNTRK1
SCHEMBL1601012 0.74 ALK (0.77) ALKMET
SCHEMBL3836595 0.70 ALK (0.65) ALKTNIKJAK2PRKD3MAP4K4
SCHEMBL3592949 0.68 ALK (0.68) ALKTNIKJAK2PRKD3MAP4K4
SCHEMBL19908230 0.68 ALK (0.39) ALKROCK2NTRK1
SCHEMBL1601236 0.65 ALK (0.69) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1600634 0.65 ALK (0.67) ALKTNIKJAK2PRKD3MAP4K4
SCHEMBL3592946 0.65 ALK (0.66) ALKTNIKJAK2PRKD3MAP4K4

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-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO disclosed