SCHEMBL24459045

SCHEMBL24459045

C=CC(=O)N1C[C@@H]2[C@@H](C#Cc3c(-c4ccc(Oc5cccc(C)n5)c(OC)c4)c4c(N)ncnc4n3CCCO)[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 9/20 0.44
▸ FGFR2 P21802 4/20 0.44
▸ FGFR3 P22607 3/20 0.44
▸ ITK Q08881 2/20 0.43
▸ FGFR4 P22455 7/20 0.41
▸ BTK Q06187 4/20 0.39
▸ RPS6KA3 P51812 3/20 0.39
▸ FYN P06241 2/20 0.38
▸ VCP P55072 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ YES1 P07947 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37

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
SCHEMBL31523996 1.00 FGFR1 (0.44) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24459090 0.93 FGFR1 (0.43) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523999 0.93 FGFR1 (0.43) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523934 0.93 FGFR1 (0.43) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523844 0.91 ITK (0.43) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24458995 0.91 ITK (0.43) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24459006 0.91 ITK (0.44) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523754 0.91 ITK (0.44) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL24458994 0.89 FGFR1 (0.43) FGFR1FGFR2FGFR3ITKFGFR4
SCHEMBL31523721 0.89 FGFR1 (0.43) FGFR1FGFR2FGFR3ITKFGFR4

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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