SCHEMBL24458998

SCHEMBL24458998

C=CC(=O)N1CCC(N2CC(C#Cc3c(-c4ccc(C5CC5)c(OC)c4)c4c(N)ncnc4n3C)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 11/20 0.47
▸ FGFR1 P11362 10/20 0.47
▸ FGFR2 P21802 10/20 0.46
▸ ITK Q08881 2/20 0.46
▸ FGFR3 P22607 4/20 0.45
▸ KDR P35968 4/20 0.45
▸ BTK Q06187 2/20 0.44

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
SCHEMBL31523968 1.00 FGFR4 (0.47) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL24458360 0.93 ITK (0.54) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL24458601 0.91 RET (0.49) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL24458372 0.91 ITK (0.44) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL31523744 0.90 ITK (0.49) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL24458973 0.90 ITK (0.49) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL31523779 0.89 ITK (0.48) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL24458934 0.89 ITK (0.48) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL24458976 0.89 FGFR2 (0.50) FGFR4FGFR1FGFR2ITKFGFR3
SCHEMBL24459042 0.88 BTK (0.50) FGFR4FGFR1FGFR2ITKFGFR3

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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