SCHEMBL20733979

SCHEMBL20733979

COc1cc(OC)cc(N2Cc3cnc(SC)nc3N(CCc3ccc(N)cc3)C2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 16/20 0.68
FGFR1 P11362 5/20 0.52
FGFR2 P21802 5/20 0.52
FGFR3 P22607 5/20 0.52
CYP19A1 P11511 1/20 0.43
KDR P35968 1/20 0.42
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL3975638 0.85 FGFR4 (0.75) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL20734029 0.84 FGFR4 (0.47) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL15412943 0.81 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL29388619 0.78 FGFR4 (0.53) FGFR4FGFR1FGFR2FGFR3CYP19A1
SCHEMBL22532554 0.78 FGFR4 (0.53) FGFR4FGFR1FGFR2FGFR3CYP19A1
SCHEMBL16071675 0.77 FGFR4 (0.60) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL28656646 0.76 FGFR4 (0.50) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL16071531 0.76 FGFR4 (0.74) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL28633170 0.72 FGFR4 (0.64) FGFR4FGFR1FGFR2FGFR3
SCHEMBL28734479 0.72 FGFR4 (0.66) FGFR4FGFR1FGFR2FGFR3KDR

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-2019029541-A1 FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-02-14 WO disclosed