SCHEMBL16655795

SCHEMBL16655795

C=CC(=O)NCc1ccccc1Nc1nccc(N(C)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KDR P35968 11/20 0.43
FGFR1 P11362 1/20 0.43
EPHB4 P54760 1/20 0.43
AURKA O14965 1/20 0.42
EGFR P00533 5/20 0.41
BTK Q06187 3/20 0.39
JAK3 P52333 1/20 0.39
ALK Q9UM73 1/20 0.38

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
SCHEMBL16665206 0.86 KDR (0.44) KDRFGFR1EPHB4AURKA
SCHEMBL16665205 0.84 L3MBTL1 (0.51) L3MBTL1KDRFGFR1EPHB4EGFR
SCHEMBL16655392 0.75 KDR (0.48) KDRFGFR1EPHB4AURKA
SCHEMBL16665217 0.74 MAPK3 (0.48) L3MBTL1FGFR1EGFR
SCHEMBL16665212 0.72 KDR (0.50) KDRFGFR1EPHB4AURKAJAK3
SCHEMBL16665245 0.71 FGFR4 (0.50) FGFR1EGFRALK
SCHEMBL18793023 0.70 KDR (0.51) KDRFGFR1EPHB4AURKAJAK3
SCHEMBL16665207 0.70 KDR (0.46) L3MBTL1KDRFGFR1EPHB4AURKA
SCHEMBL13980512 0.69 KDR (0.52) KDRFGFR1EPHB4
SCHEMBL16665222 0.69 L3MBTL1 (0.45) L3MBTL1KDRFGFR1EGFRBTK

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
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed