SCHEMBL24458910

SCHEMBL24458910

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.43
▸ FGFR4 P22455 8/20 0.42
▸ FGFR1 P11362 7/20 0.42
▸ FGFR2 P21802 6/20 0.42
▸ FGFR3 P22607 3/20 0.42
▸ BTK Q06187 7/20 0.41
▸ EGFR P00533 1/20 0.41
▸ KDR P35968 2/20 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
Formic Acid SCHEMBL31523741 0.98 ITK (0.42) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523740 0.94 ITK (0.43) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458485 0.90 FGFR2 (0.39) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31524031 0.89 ITK (0.46) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458718 0.89 ITK (0.46) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24459070 0.88 FGFR1 (0.45) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523882 0.88 FGFR1 (0.45) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24459037 0.87 FGFR1 (0.45) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL31523983 0.87 FGFR1 (0.45) ITKFGFR4FGFR1FGFR2FGFR3
SCHEMBL24458905 0.85 BTK (0.48) 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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