SCHEMBL23060232

SCHEMBL23060232

C=CC(=O)Nc1cc(NCCNCCC(F)(F)F)cc(F)c1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.34
FGFR4 P22455 1/20 0.34
EGFR P00533 11/20 0.33
ITK Q08881 1/20 0.32
TGM2 P21980 4/20 0.32
MET P08581 2/20 0.32
MAPK3 P27361 3/20 0.31
RORC P51449 1/20 0.31
F13A1 P00488 1/20 0.31
TGM1 P22735 1/20 0.31
JAK3 P52333 1/20 0.30
BTK Q06187 1/20 0.30
ERBB3 P21860 1/20 0.30
DUS2 Q9NX74 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL23060277 0.80 MAPK3 (0.37) FGFR1FGFR4EGFRITKMAPK3
SCHEMBL23060231 0.79 CFTR (0.34)
SCHEMBL24594005 0.76 FGFR4 (0.45) FGFR1FGFR4EGFRITKMET
SCHEMBL23060180 0.76 GSTO1 (0.41) EGFRTGM2JAK3
SCHEMBL28553497 0.75 KDM4E (0.42) FGFR1FGFR4EGFRTGM2BTK
SCHEMBL23060172 0.75 TGM2 (0.34) FGFR4EGFRITKTGM2BTK
SCHEMBL23044895 0.73 FGFR1 (0.39) FGFR1FGFR4EGFRKDR
SCHEMBL23060271 0.69 KDM4E (0.38) FGFR1FGFR4EGFRTGM2MAPK3
SCHEMBL21430724 0.67 FGFR4 (0.43) FGFR1FGFR4TGM2KDR
SCHEMBL23060053 0.66 GSTO1 (0.41) EGFRTGM2JAK3

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-2021037219-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR 上海奕拓医药科技有限责任公司 2021-03-04 WO disclosed