SCHEMBL24458634

SCHEMBL24458634

C=CS(=O)(=O)N1CC[C@@H](N2CC(C#Cc3c(-c4ccc(Oc5ccccc5)c(OC)n4)c4c(N)ncnc4n3C)C2)[C@@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.40
▸ ERBB3 P21860 1/20 0.33
▸ FGFR4 P22455 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TEK Q02763 1/20 0.32

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
SCHEMBL31523865 1.00 BTK (0.40) BTKERBB3FGFR4EGFRLCK
SCHEMBL24458481 0.91 BTK (0.42) BTKERBB3FGFR4EGFRLCK
SCHEMBL31523749 0.91 BTK (0.42) BTKERBB3FGFR4EGFRLCK
SCHEMBL31523830 0.89 BTK (0.43) BTKERBB3EGFRLCKSRC
SCHEMBL24458580 0.89 BTK (0.43) BTKERBB3EGFRLCKSRC
SCHEMBL24458673 0.89 BTK (0.42) BTKEGFRLCKSRCKDR
SCHEMBL31523950 0.89 BTK (0.42) BTKEGFRLCKSRCKDR
SCHEMBL24459046 0.87 BTK (0.50) BTKEGFRLCKSRCKDR
SCHEMBL24458533 0.83 BTK (0.45) BTKEGFRLCKSRCKDR
SCHEMBL31523835 0.83 BTK (0.45) BTKEGFRLCKSRCKDR

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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