SCHEMBL24458411

SCHEMBL24458411

C=CC(=O)N1C[C@@H]2[C@@H](C#Cc3c(-c4ccccc4OC)c4c(N)ncnc4n3C)[C@@H]2C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 13/20 0.51
▸ FGFR4 P22455 13/20 0.51
▸ BTK Q06187 2/20 0.48
▸ FGFR2 P21802 5/20 0.43
▸ KDR P35968 3/20 0.43
▸ FGFR3 P22607 3/20 0.43
▸ ITK Q08881 1/20 0.41

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
SCHEMBL31523782 1.00 FGFR1 (0.51) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24458561 0.90 FGFR1 (0.48) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523922 0.90 FGFR1 (0.48) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523936 0.89 BTK (0.48) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24458947 0.89 BTK (0.48) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24458703 0.88 FGFR1 (0.43) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523864 0.88 FGFR1 (0.43) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24458402 0.87 FGFR2 (0.49) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL31523889 0.87 FGFR2 (0.49) FGFR1FGFR4BTKFGFR2KDR
SCHEMBL24458421 0.86 FGFR4 (0.51) 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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