SCHEMBL24459159

SCHEMBL24459159

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 8/20 0.43
▸ FGFR4 P22455 8/20 0.41
▸ FGFR1 P11362 6/20 0.41
▸ BTK Q06187 5/20 0.40
▸ KDR P35968 3/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ITK Q08881 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL31523873 1.00 FGFR2 (0.43) FGFR2FGFR4FGFR1BTKKDR
SCHEMBL24458475 0.93 FGFR2 (0.42) FGFR2FGFR4FGFR1BTKKDR
SCHEMBL29552790 0.93 FGFR2 (0.42) FGFR2FGFR4FGFR1BTKKDR
SCHEMBL31523855 0.90 FGFR2 (0.47) FGFR2FGFR4FGFR1BTKKDR
SCHEMBL24458612 0.90 FGFR2 (0.47) FGFR2FGFR4FGFR1BTKKDR
SCHEMBL24458533 0.89 BTK (0.45) FGFR2BTKKDREGFRITK
SCHEMBL31523835 0.89 BTK (0.45) FGFR2BTKKDREGFRITK
SCHEMBL24458598 0.87 ITK (0.46) FGFR2FGFR4FGFR1BTKKDR
SCHEMBL31523906 0.83 EGFR (0.40) FGFR2FGFR4FGFR1BTKKDR
SCHEMBL24458869 0.83 EGFR (0.40) FGFR2FGFR4FGFR1BTKKDR

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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