SCHEMBL19908353

SCHEMBL19908353

O=C(c1ccc(-c2cnc3c(c2)N(Cc2ccccc2C(F)(F)F)CCN3)cc1)N1Cc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.67
MET P08581 2/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
IGF1R P08069 1/20 0.50
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
LTK P29376 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50

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
SCHEMBL1601908 0.91 ALK (0.81) ALKMETCHEK1AURKAJAK2
SCHEMBL1601630 0.83 ALK (0.87) ALKMETCHEK1AURKAJAK2
SCHEMBL1601172 0.81 ALK (0.81) ALKMETCHEK1AURKAJAK2
SCHEMBL19908375 0.81 ALK (0.67) ALKMETCHEK1AURKAJAK2
SCHEMBL1601206 0.80 ALK (0.81) ALKMETCHEK1AURKAJAK2
SCHEMBL1600394 0.80 ALK (0.81) ALKMETCHEK1AURKAJAK2
SCHEMBL19908314 0.80 ALK (0.58) ALKMETCHEK1AURKAJAK2
SCHEMBL1601729 0.79 ALK (0.85) ALKMETCHEK1AURKAJAK2
SCHEMBL1601767 0.79 ALK (0.85) ALKMETCHEK1AURKAJAK2
SCHEMBL1600181 0.79 ALK (0.82) ALKMETCHEK1AURKAJAK2

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