SCHEMBL24459158

SCHEMBL24459158

C=CC(=O)N1CCC(N2CC(C#Cc3c(-c4ccc(Cl)c(OC)n4)c4c(N)ncnc4n3C)C2)C[C@H]1CO

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 12/20 0.43
▸ BTK Q06187 5/20 0.36
▸ FGFR1 P11362 5/20 0.35
▸ FGFR4 P22455 5/20 0.35
▸ KDR P35968 3/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ EGFR P00533 1/20 0.34

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
SCHEMBL31523831 1.00 FGFR2 (0.43) FGFR2BTKFGFR1FGFR4KDR
SCHEMBL31523919 0.89 FGFR2 (0.42) FGFR2BTKEGFR
SCHEMBL24458663 0.89 FGFR2 (0.42) FGFR2BTKEGFR
SCHEMBL24458612 0.88 FGFR2 (0.47) FGFR2BTKFGFR1FGFR4KDR
SCHEMBL31523855 0.88 FGFR2 (0.47) FGFR2BTKFGFR1FGFR4KDR
SCHEMBL24458658 0.88 FGFR2 (0.45) FGFR2BTKFGFR1FGFR4KDR
SCHEMBL29552703 0.83 SRC (0.45) FGFR2
SCHEMBL29552790 0.82 FGFR2 (0.42) FGFR2BTKFGFR1FGFR4KDR
SCHEMBL24458475 0.82 FGFR2 (0.42) FGFR2BTKFGFR1FGFR4KDR
SCHEMBL24458588 0.82 BTK (0.49) FGFR2BTKKDREGFR

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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