SCHEMBL24458947

SCHEMBL24458947

C=CC(=O)N1C[C@@H]2[C@@H](C#Cc3c(-c4ccc(Oc5ccccc5)cc4OC)c4c(N)ncnc4n3C)[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.48
▸ BMX P51813 5/20 0.48
▸ EGFR P00533 5/20 0.48
▸ HCK P08631 3/20 0.48
▸ SRC P12931 3/20 0.48
▸ BLK P51451 3/20 0.48
▸ ITK Q08881 3/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ FGFR1 P11362 4/20 0.46
▸ FGFR4 P22455 4/20 0.46
▸ LCK P06239 2/20 0.44
▸ TEC P42680 3/20 0.43
▸ TXK P42681 2/20 0.43
▸ LYN P07948 2/20 0.43
▸ FGFR2 P21802 2/20 0.43
▸ RIPK2 O43353 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ SLC22A3 O75751 1/20 0.43
▸ LATS1 O95835 1/20 0.43
▸ NUDT14 O95848 1/20 0.43

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
SCHEMBL31523936 1.00 BTK (0.48) BTKBMXEGFRHCKSRC
SCHEMBL24458526 0.91 BTK (0.48) BTKBMXEGFRHCKSRC
SCHEMBL31523713 0.91 BTK (0.48) BTKBMXEGFRHCKSRC
SCHEMBL31523930 0.90 FGFR4 (0.46) BTKBMXEGFRHCKSRC
SCHEMBL24458941 0.90 FGFR4 (0.46) BTKBMXEGFRHCKSRC
SCHEMBL24458411 0.89 FGFR1 (0.51) BTKITKFGFR1FGFR4FGFR2
SCHEMBL31523782 0.89 FGFR1 (0.51) BTKITKFGFR1FGFR4FGFR2
SCHEMBL24458582 0.89 BTK (0.50) BTKEGFRITKFGFR1FGFR4
SCHEMBL31523992 0.88 BTK (0.53) BTKBMXEGFRHCKSRC
SCHEMBL24458604 0.87 BTK (0.50) BTKBMXEGFRHCKSRC

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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