SCHEMBL24459014

SCHEMBL24459014

C=CC(=O)N1CC[C@H](N2CC(C#Cc3c(-c4ccc(Oc5ccccc5)c(OC)c4)c4c(N)ncnc4n3C)C2)[C@H](O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.46
▸ BTK Q06187 17/20 0.45
▸ EGFR P00533 5/20 0.45
▸ FGFR1 P11362 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ TEC P42680 3/20 0.43
▸ BMX P51813 3/20 0.43
▸ TXK P42681 2/20 0.43
▸ LYN P07948 2/20 0.43
▸ FGFR2 P21802 2/20 0.43
▸ RIPK2 O43353 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ SLC22A3 O75751 1/20 0.43
▸ LATS1 O95835 1/20 0.43
▸ NUDT14 O95848 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ PGR P06401 1/20 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
SCHEMBL31523790 1.00 ITK (0.46) ITKBTKEGFRFGFR1FGFR4
SCHEMBL24458867 0.94 ITK (0.51) ITKBTKFGFR1FGFR4FGFR2
SCHEMBL24459042 0.91 BTK (0.50) ITKBTKEGFRFGFR1FGFR4
SCHEMBL24459131 0.91 BTK (0.53) ITKBTKEGFRTECBMX
SCHEMBL24458483 0.91 BTK (0.53) ITKBTKEGFRTECBMX
SCHEMBL24459101 0.91 BTK (0.53) ITKBTKEGFRTECBMX
SCHEMBL24458459 0.91 ITK (0.47) ITKBTKFGFR1FGFR4FGFR2
SCHEMBL31523951 0.91 ITK (0.47) ITKBTKFGFR1FGFR4FGFR2
SCHEMBL24458999 0.91 ITK (0.44) ITKBTKEGFRFGFR1FGFR4
SCHEMBL31523915 0.91 ITK (0.44) ITKBTKEGFRFGFR1FGFR4

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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