SCHEMBL19908174

SCHEMBL19908174

CN1CCN(c2ccc(-c3cnc4c(c3)N([S+]([O-])c3cc(F)ccc3F)CCN4)cn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.65
MET P08581 3/20 0.59
MAP4K4 O95819 3/20 0.59
JAK2 O60674 2/20 0.59
PRKD3 O94806 2/20 0.59
ABL1 P00519 2/20 0.59
LCK P06239 2/20 0.59
CSF1R P07333 2/20 0.59
RET P07949 2/20 0.59
FGFR1 P11362 2/20 0.59
LTK P29376 2/20 0.59
FLT3 P36888 2/20 0.59
PTK2 Q05397 2/20 0.59
MAP4K2 Q12851 2/20 0.59
NTRK2 Q16620 2/20 0.59
TAOK1 Q7L7X3 2/20 0.59
AURKB Q96GD4 2/20 0.59
MAP4K5 Q9Y4K4 2/20 0.59
DYRK1A Q13627 2/20 0.59
PLK4 O00444 1/20 0.59

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
SCHEMBL19908473 0.85 ALK (0.57) ALKMETMAP4K4JAK2PRKD3
SCHEMBL1600012 0.79 ALK (1.00) ALKMETMAP4K4JAK2PRKD3
SCHEMBL1601098 0.78 ALK (1.00) ALKMETMAP4K4JAK2PRKD3
SCHEMBL12052349 0.76 ALK (0.71) ALKMETMAP4K4JAK2PRKD3
SCHEMBL1601297 0.74 ALK (1.00) ALKMETMAP4K4JAK2PRKD3
SCHEMBL1601287 0.73 ALK (0.66) ALKMETMAP4K4JAK2PRKD3
SCHEMBL1600971 0.71 ALK (0.55) ALKMETMAP4K4JAK2PRKD3
SCHEMBL1602326 0.71 ALK (1.00) ALKMETMAP4K4JAK2PRKD3
SCHEMBL1602067 0.70 ALK (0.73) ALKMETMAP4K4JAK2PRKD3
SCHEMBL1602058 0.69 ALK (0.71) ALKMETMAP4K4JAK2PRKD3

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