SCHEMBL24459098

SCHEMBL24459098

C=CC(=O)N1CCC(C)(C#Cc2c(-c3ccc(Oc4cccc(C)n4)c(OC)c3)c3c(N)ncnc3n2C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 9/20 0.42
▸ FGFR2 P21802 4/20 0.42
▸ FGFR3 P22607 3/20 0.42
▸ ITK Q08881 1/20 0.41
▸ FGFR4 P22455 6/20 0.38
▸ BTK Q06187 9/20 0.37
▸ EGFR P00533 1/20 0.36
▸ HCK P08631 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ BMX P51813 1/20 0.35

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
SCHEMBL31524092 1.00 FGFR1 (0.42) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24458918 0.88 ITK (0.44) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523935 0.88 ITK (0.44) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523710 0.86 ITK (0.43) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24458884 0.86 ITK (0.43) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24459037 0.85 FGFR1 (0.45) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523983 0.85 FGFR1 (0.45) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24459099 0.85 ITK (0.44) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523985 0.85 ITK (0.44) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24458910 0.83 ITK (0.43) FGFR1FGFR2FGFR3ITKFGFR4

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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