SCHEMBL24458612

SCHEMBL24458612

C=CC(=O)N1CCC(N2CC(C#Cc3c(-c4ccc(Cl)c(OC)n4)c4c(N)ncnc4n3C)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 9/20 0.47
▸ KDR P35968 3/20 0.43
▸ FGFR1 P11362 7/20 0.43
▸ FGFR4 P22455 7/20 0.43
▸ BTK Q06187 4/20 0.43
▸ FGFR3 P22607 2/20 0.43
▸ JAK2 O60674 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ EGFR P00533 1/20 0.40

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
SCHEMBL31523855 1.00 FGFR2 (0.47) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL31523994 0.91 FGFR2 (0.45) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL24459053 0.91 FGFR2 (0.45) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL24458475 0.91 FGFR2 (0.42) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL29552790 0.91 FGFR2 (0.42) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL24459159 0.90 FGFR2 (0.43) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL31523873 0.90 FGFR2 (0.43) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL31523831 0.88 FGFR2 (0.43) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL24459158 0.88 FGFR2 (0.43) FGFR2KDRFGFR1FGFR4BTK
SCHEMBL24458466 0.88 BTK (0.46) FGFR2KDRFGFR1FGFR4BTK

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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