SCHEMBL24458905

SCHEMBL24458905

C=CC(=O)N1CCC(N2CC(F)(C#Cc3c(-c4ccc(Oc5ccccc5)c(OC)c4)c4c(N)ncnc4n3C)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.48
▸ EGFR P00533 2/20 0.48
▸ ITK Q08881 1/20 0.44
▸ FGFR2 P21802 4/20 0.44
▸ FGFR1 P11362 3/20 0.44
▸ FGFR4 P22455 2/20 0.44
▸ ERBB3 P21860 1/20 0.43
▸ FGFR3 P22607 2/20 0.43
▸ KDR P35968 1/20 0.43
▸ HCK P08631 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ BLK P51451 1/20 0.43
▸ BMX P51813 1/20 0.43

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
SCHEMBL31523732 1.00 BTK (0.48) BTKEGFRITKFGFR2FGFR1
SCHEMBL24458468 0.91 BTK (0.57) BTKEGFRITKFGFR2KDR
SCHEMBL31523740 0.90 ITK (0.43) BTKEGFRITKFGFR2FGFR1
SCHEMBL24458406 0.89 RET (0.47) BTKEGFRITKFGFR2FGFR1
SCHEMBL24458529 0.88 BTK (0.45) BTKEGFRFGFR2ERBB3KDR
SCHEMBL31523738 0.88 BTK (0.45) BTKEGFRFGFR2ERBB3KDR
SCHEMBL24459042 0.88 BTK (0.50) BTKEGFRITKFGFR2FGFR1
SCHEMBL24458910 0.85 ITK (0.43) BTKEGFRITKFGFR2FGFR1
SCHEMBL29552575 0.84 RET (0.43) EGFRITKFGFR2FGFR1FGFR4
SCHEMBL24458660 0.84 BTK (0.57) BTKEGFRITKFGFR2KDR

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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