SCHEMBL24458633

SCHEMBL24458633

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.46
▸ FGFR4 P22455 10/20 0.43
▸ FGFR1 P11362 9/20 0.43
▸ FGFR2 P21802 10/20 0.42
▸ FGFR3 P22607 4/20 0.42
▸ BTK Q06187 2/20 0.40
▸ KDR P35968 3/20 0.40

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
SCHEMBL31523912 1.00 ITK (0.46) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458867 0.95 ITK (0.51) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523951 0.92 ITK (0.47) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458459 0.92 ITK (0.47) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523779 0.91 ITK (0.48) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458934 0.91 ITK (0.48) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523837 0.91 RET (0.45) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458503 0.91 RET (0.45) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458531 0.91 RET (0.45) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24459014 0.90 ITK (0.46) 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
Send feedback