SCHEMBL24458934

SCHEMBL24458934

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.48
▸ FGFR4 P22455 11/20 0.46
▸ FGFR1 P11362 10/20 0.46
▸ FGFR2 P21802 11/20 0.45
▸ FGFR3 P22607 4/20 0.45
▸ KDR P35968 4/20 0.44
▸ BTK Q06187 2/20 0.43

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
SCHEMBL31523779 1.00 ITK (0.48) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458360 0.95 ITK (0.54) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523744 0.91 ITK (0.49) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458973 0.91 ITK (0.49) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458633 0.91 ITK (0.46) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523912 0.91 ITK (0.46) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458601 0.90 RET (0.49) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24459042 0.90 BTK (0.50) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458998 0.89 FGFR4 (0.47) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523968 0.89 FGFR4 (0.47) ITKFGFR4FGFR1FGFR2FGFR3

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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