SCHEMBL24458919

SCHEMBL24458919

C=CC(=O)N1C[C@@H]2[C@@H](C#Cc3c(-c4ccc(Br)c(OC)c4)c4c(N)ncnc4n3C(C)C)[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 12/20 0.44
▸ FGFR4 P22455 10/20 0.44
▸ ITK Q08881 2/20 0.44
▸ FGFR2 P21802 7/20 0.42
▸ FGFR3 P22607 3/20 0.42
▸ KDR P35968 2/20 0.42
▸ BTK Q06187 1/20 0.40
▸ RET P07949 1/20 0.40
▸ KIF5B P33176 1/20 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
SCHEMBL31523852 1.00 FGFR1 (0.44) FGFR1FGFR4ITKFGFR2FGFR3
SCHEMBL24459095 0.91 RET (0.48) FGFR1FGFR4ITKFGFR2FGFR3
SCHEMBL31523901 0.91 RET (0.48) FGFR1FGFR4ITKFGFR2FGFR3
SCHEMBL24458761 0.89 FGFR1 (0.46) FGFR1FGFR4ITKFGFR2FGFR3
SCHEMBL31524011 0.87 FGFR4 (0.48) FGFR1FGFR4ITKFGFR2FGFR3
SCHEMBL24458505 0.87 FGFR4 (0.48) FGFR1FGFR4ITKFGFR2FGFR3
SCHEMBL31523795 0.86 FGFR1 (0.40) FGFR1FGFR4FGFR2FGFR3KDR
SCHEMBL24459096 0.86 FGFR1 (0.40) FGFR1FGFR4FGFR2FGFR3KDR
SCHEMBL24458884 0.86 ITK (0.43) FGFR1FGFR4ITKFGFR2FGFR3
SCHEMBL31523710 0.86 ITK (0.43) FGFR1FGFR4ITKFGFR2FGFR3

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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