SCHEMBL16665222

SCHEMBL16665222

C=CC(=O)Nc1ccccc1Nc1nccc(N(C)c2ccc3c(c2)cc(C)n3C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MAPK3 P27361 6/20 0.44
MAPK1 P28482 2/20 0.44
MAP2K1 Q02750 2/20 0.44
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
KDR P35968 3/20 0.43
CSF1R P07333 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL16665218 0.89 EGFR (0.46) KDREGFRJAK3BTKHTR2C
SCHEMBL16665213 0.84 MAPK3 (0.42) MAPK3KDRFGFR1FGFR4EGFR
SCHEMBL16665205 0.82 L3MBTL1 (0.51) L3MBTL1MAPK3MAPK1MAP2K1KDR
SCHEMBL16665217 0.80 MAPK3 (0.48) L3MBTL1MAPK3MAPK1MAP2K1FGFR1
SCHEMBL16665245 0.76 FGFR4 (0.50) MAPK3FGFR1FGFR4EGFR
SCHEMBL16665367 0.74 FGFR4 (0.49) MAPK3MAPK1MAP2K1KDRPDGFRB
SCHEMBL12185524 0.69 KDR (0.39) KDRKITFGFR1CYP3A4CYP2D6
SCHEMBL16655795 0.69 L3MBTL1 (0.44) L3MBTL1KDRFGFR1EGFRJAK3
SCHEMBL13169364 0.68 MAPK3 (0.50) MAPK3MAPK1MAP2K1FGFR4EGFR
SCHEMBL16655392 0.67 KDR (0.48) KDRFGFR1

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