SCHEMBL19622467

SCHEMBL19622467

C=C(c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)N(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.75
PDGFRB P09619 11/20 0.67
KDR P35968 10/20 0.67
PRKAA1 Q13131 7/20 0.67
FGFR1 P11362 7/20 0.67
PRKAA2 P54646 6/20 0.67
TLK2 Q86UE8 3/20 0.63
PLK4 O00444 2/20 0.62
DCLK1 O15075 2/20 0.62
PDPK1 O15530 2/20 0.62
DAPK3 O43293 2/20 0.62
ROCK2 O75116 2/20 0.62
RPS6KA5 O75582 2/20 0.62
RPS6KA4 O75676 2/20 0.62
MAP4K4 O95819 2/20 0.62
CHEK2 O96017 2/20 0.62
NTRK1 P04629 2/20 0.62
INSR P06213 2/20 0.62
LCK P06239 2/20 0.62
FYN P06241 2/20 0.62

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
SCHEMBL13755254 0.89 ALK (0.78) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL859966 0.86 ALK (1.00) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL8210235 0.86 ALK (0.83) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL859965 0.86 ALK (1.00) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL29486525 0.85 ALK (0.82) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL17503076 0.85 ALK (0.82) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL12329173 0.85 ALK (0.82) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL30733142 0.85 ALK (0.82) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL18814394 0.85 ALK (0.82) ALKPDGFRBKDRPRKAA1FGFR1
SCHEMBL1081676 0.85 ALK (0.82) ALKPDGFRBKDRPRKAA1FGFR1

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-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed