SCHEMBL24459095

SCHEMBL24459095

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.48
▸ KIF5B P33176 1/20 0.48
▸ ITK Q08881 2/20 0.44
▸ FGFR1 P11362 11/20 0.42
▸ FGFR4 P22455 9/20 0.42
▸ FGFR2 P21802 7/20 0.42
▸ FGFR3 P22607 3/20 0.42
▸ KDR P35968 2/20 0.42
▸ BTK Q06187 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
SCHEMBL31523901 1.00 RET (0.48) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458919 0.91 FGFR1 (0.44) RETKIF5BITKFGFR1FGFR4
SCHEMBL31523852 0.91 FGFR1 (0.44) RETKIF5BITKFGFR1FGFR4
SCHEMBL31523756 0.90 RET (0.48) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458389 0.90 RET (0.48) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458784 0.87 RET (0.49) RETKIF5BITKFGFR1FGFR4
SCHEMBL31523867 0.87 RET (0.49) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458884 0.86 ITK (0.43) ITKFGFR1FGFR4FGFR2FGFR3
SCHEMBL31523710 0.86 ITK (0.43) ITKFGFR1FGFR4FGFR2FGFR3
SCHEMBL24458379 0.85 BTK (0.41) FGFR1FGFR4FGFR2FGFR3KDR

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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