SCHEMBL24458766

SCHEMBL24458766

C=CC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2[C@@H](C#Cc3c(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc4n3C)[C@@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.53
▸ FLT3 P36888 3/20 0.51
▸ BLK P51451 2/20 0.51
▸ EGFR P00533 2/20 0.51
▸ ITK Q08881 2/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ RET P07949 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ TEC P42680 1/20 0.51
▸ TXK P42681 1/20 0.51
▸ BMX P51813 1/20 0.51
▸ ERBB4 Q15303 1/20 0.51
▸ HCK P08631 2/20 0.48
▸ LCK P06239 1/20 0.46
▸ JAK3 P52333 1/20 0.46

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
SCHEMBL31523885 1.00 BTK (0.53) BTKFLT3BLKEGFRITK
SCHEMBL24458877 0.91 BTK (0.52) BTKFLT3BLKEGFRITK
SCHEMBL24458546 0.91 BTK (0.52) BTKFLT3BLKEGFRITK
SCHEMBL24458913 0.88 BTK (0.56) BTKFLT3BLKEGFRITK
SCHEMBL31523943 0.88 BTK (0.56) BTKFLT3BLKEGFRITK
SCHEMBL31523992 0.88 BTK (0.53) BTKFLT3BLKEGFRITK
SCHEMBL24459061 0.83 BTK (0.58) BTKFLT3BLKEGFRITK
SCHEMBL31523849 0.82 BTK (0.44) BTKFLT3BLKEGFRITK
SCHEMBL24458708 0.82 BTK (0.44) BTKFLT3BLKEGFRITK
SCHEMBL24459025 0.82 BTK (0.58) BTKFLT3BLKEGFRITK

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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