SCHEMBL28656646

SCHEMBL28656646

COc1cc(OC)cc(N2Cc3cnc(Cl)nc3N(CCc3ccc([N+](=O)[O-])cc3)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 13/20 0.50
FGFR1 P11362 5/20 0.50
FGFR2 P21802 5/20 0.50
FGFR3 P22607 5/20 0.50
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDR P35968 1/20 0.39
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MAPT P10636 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
SCHEMBL22532368 0.92 FGFR4 (0.49) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL28637841 0.84 FGFR4 (0.48) FGFR4FGFR1FGFR2FGFR3MAPT
SCHEMBL28633170 0.83 FGFR4 (0.64) FGFR4FGFR1FGFR2FGFR3
SCHEMBL22532554 0.80 FGFR4 (0.53) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL29388619 0.80 FGFR4 (0.53) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL16071565 0.79 FGFR4 (0.55) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL20734044 0.77 FGFR1 (0.56) FGFR4FGFR1FGFR2FGFR3
SCHEMBL16071406 0.77 FGFR4 (0.72) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL20733979 0.76 FGFR4 (0.68) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL28651460 0.76 FGFR4 (0.63) FGFR4FGFR1FGFR2FGFR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527311-B FGFR4 inhibitor, composition and application thereof in preparation of medicines 中南大学湘雅医院 2022-05-06 CN disclosed
CN-113527311-A FGFR4 inhibitor, composition and application thereof in preparation of medicines 中南大学湘雅医院 2021-10-22 CN disclosed