SCHEMBL29579257

SCHEMBL29579257

C=CC(=O)N[C@H]1COC[C@H]1Nc1cc2c(NCC3CCCO3)nc(-c3cccc(OC)c3F)cc2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 13/20 0.43
FGFR1 P11362 6/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
FGFR2 P21802 7/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2C8 P10632 1/20 0.38
CYP2B6 P20813 1/20 0.38
FGFR3 P22607 1/20 0.38
PAK4 O96013 1/20 0.37
PAK1 Q13153 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL20331836 1.00 FGFR4 (0.43) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL20331833 0.91 FGFR4 (0.46) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL29578132 0.91 FGFR4 (0.46) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL30046215 0.88 FGFR4 (0.46) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21240197 0.88 FGFR4 (0.46) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL29577638 0.86 FGFR4 (0.44) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21240211 0.86 FGFR4 (0.44) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL20331532 0.86 FGFR4 (0.54) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL30045310 0.86 FGFR4 (0.54) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21240125 0.82 FGFR4 (0.59) FGFR4FGFR1CYP2C9FGFR2CYP2C8

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-3524603-B1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2022-06-08 EP disclosed