SCHEMBL24458918

SCHEMBL24458918

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.44
▸ FGFR1 P11362 9/20 0.42
▸ FGFR2 P21802 7/20 0.42
▸ FGFR3 P22607 4/20 0.42
▸ FGFR4 P22455 9/20 0.42
▸ BTK Q06187 5/20 0.40
▸ KDR P35968 2/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL31523935 1.00 ITK (0.44) ITKFGFR1FGFR2FGFR3FGFR4
SCHEMBL24459099 0.94 ITK (0.44) ITKFGFR1FGFR2FGFR3FGFR4
SCHEMBL31523985 0.94 ITK (0.44) ITKFGFR1FGFR2FGFR3FGFR4
SCHEMBL31523882 0.92 FGFR1 (0.45) ITKFGFR1FGFR2FGFR3FGFR4
SCHEMBL24459070 0.92 FGFR1 (0.45) ITKFGFR1FGFR2FGFR3FGFR4
SCHEMBL24458884 0.90 ITK (0.43) ITKFGFR1FGFR2FGFR3FGFR4
SCHEMBL31523710 0.90 ITK (0.43) ITKFGFR1FGFR2FGFR3FGFR4
SCHEMBL24458316 0.90 BTK (0.47) ITKBTKEGFR
SCHEMBL31523730 0.90 BTK (0.47) ITKBTKEGFR
SCHEMBL24459098 0.88 FGFR1 (0.42) ITKFGFR1FGFR2FGFR3FGFR4

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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