SCHEMBL19908280

SCHEMBL19908280

Cc1cnc2c(c1)N(Cc1cc(F)c(F)cc1F)C(=O)CN2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.41
EDNRB P24530 4/20 0.39
EDNRA P25101 4/20 0.39
CHRM1 P11229 4/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
CSF1R P07333 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PRKDC P78527 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
RPTOR Q8N122 1/20 0.31
MLST8 Q9BVC4 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL1601292 0.86 ALK (0.41) ALKEDNRBEDNRACHRM1
SCHEMBL14387480 0.81 ALK (0.37) ALKEDNRBEDNRAGRIN1GRIN2B
SCHEMBL19908479 0.79 ALK (0.43) ALKEDNRBEDNRACSF1RGRIN1
SCHEMBL14387485 0.78 KMT2A (0.39) ALKEDNRBEDNRAGAASMN1; SMN2
SCHEMBL19908258 0.78 ALK (0.43) ALKGAASMN1; SMN2
SCHEMBL19908483 0.78 ALK (0.51) ALKEDNRBEDNRAGAASMN1; SMN2
SCHEMBL19908302 0.76 EDNRB (0.47) ALKEDNRBEDNRA
SCHEMBL19908214 0.75 TRAP1 (0.38) ALKGAASMN1; SMN2HSP90AA1HSP90B1
SCHEMBL17813461 0.75 BRPF1 (0.42) SMN1; SMN2PIK3CAMTORPDE3BPDE3A
SCHEMBL1602412 0.74 ALK (0.57) ALK

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