SCHEMBL24459099

SCHEMBL24459099

C=CC(=O)N1CCC(N2CC(C#Cc3c(-c4ccc(Oc5cccc(C)n5)c(OC)c4)c4c(N)ncnc4n3C(C)C)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.44
▸ FGFR4 P22455 9/20 0.43
▸ FGFR1 P11362 8/20 0.43
▸ FGFR2 P21802 7/20 0.41
▸ BTK Q06187 5/20 0.41
▸ FGFR3 P22607 3/20 0.40
▸ KDR P35968 2/20 0.40
▸ 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
SCHEMBL31523985 1.00 ITK (0.44) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL24458918 0.94 ITK (0.44) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL31523935 0.94 ITK (0.44) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL31524031 0.92 ITK (0.46) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL24458718 0.92 ITK (0.46) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL24458687 0.91 ITK (0.46) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL31523707 0.91 ITK (0.46) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL24458688 0.90 ITK (0.45) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL31523775 0.90 ITK (0.45) ITKFGFR4FGFR1FGFR2BTK
SCHEMBL24458884 0.88 ITK (0.43) ITKFGFR4FGFR1FGFR2BTK

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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