SCHEMBL24459055

SCHEMBL24459055

C=CC(=O)N1C[C@@H]2[C@@H](C#Cc3c(-c4ccc(Oc5cccc(C)n5)cc4OC)c4c(N)ncnc4n3CCCS(C)(=O)=O)[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 10/20 0.42
▸ FGFR4 P22455 8/20 0.42
▸ BTK Q06187 9/20 0.38
▸ FGFR2 P21802 3/20 0.38
▸ KDR P35968 2/20 0.38
▸ FGFR3 P22607 2/20 0.38
▸ EGFR P00533 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ BLK P51451 1/20 0.36
▸ BMX P51813 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ ITK Q08881 1/20 0.36

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
SCHEMBL31523805 1.00 FGFR1 (0.42) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24458994 0.94 FGFR1 (0.43) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523721 0.94 FGFR1 (0.43) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523848 0.93 FGFR4 (0.44) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24458870 0.93 FGFR4 (0.44) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523939 0.92 FGFR1 (0.44) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24458941 0.89 FGFR4 (0.46) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523930 0.89 FGFR4 (0.46) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24459090 0.89 FGFR1 (0.43) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523999 0.89 FGFR1 (0.43) FGFR1FGFR4BTKFGFR2KDR

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-2022109551-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
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