SCHEMBL19908261

SCHEMBL19908261

Cc1cnc2c(c1)N(Cc1ccccc1OC(F)(F)F)CCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.44
ALK Q9UM73 9/20 0.42
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL1601707 0.88 TRPC5 (0.44) TRPC5ALKHTR2CHTR2BCHEK1
SCHEMBL19908302 0.82 EDNRB (0.47) TRPC5ALKHTR2CHTR2BPDE2A
SCHEMBL1601155 0.81 ALK (0.53) TRPC5ALKCHEK1AURKAJAK2
SCHEMBL1600179 0.80 ALK (0.65) TRPC5ALKCHEK1AURKAJAK2
SCHEMBL19908301 0.79 ALK (0.44) TRPC5ALKCHEK1AURKAJAK2
SCHEMBL19908235 0.78 ALK (0.46) ALKCHEK1AURKAJAK2PRKD3
SCHEMBL19908340 0.77 ALK (0.44) TRPC5ALKCHEK1AURKAJAK2
SCHEMBL19908477 0.77 ALK (0.64) ALKCHEK1AURKAJAK2PRKD3
SCHEMBL19908482 0.75 ALK (0.49) ALKCHEK1AURKAJAK2PRKD3
SCHEMBL19908476 0.75 ALK (0.67) TRPC5ALKCHEK1AURKAJAK2

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