SCHEMBL24458526

SCHEMBL24458526

C=CC(=O)N1C[C@@H]2[C@@H](C#Cc3c(-c4ccc(Oc5ccccc5)cc4Cl)c4c(N)ncnc4n3C)[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.48
▸ EGFR P00533 6/20 0.48
▸ BMX P51813 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
▸ LCK P06239 2/20 0.45
▸ TEC P42680 3/20 0.44
▸ TXK P42681 2/20 0.44
▸ LYN P07948 2/20 0.44
▸ FGFR2 P21802 2/20 0.44
▸ RIPK2 O43353 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ SLC22A3 O75751 1/20 0.44
▸ LATS1 O95835 1/20 0.44
▸ NUDT14 O95848 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ ERBB2 P04626 1/20 0.44

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
SCHEMBL31523713 1.00 BTK (0.48) BTKEGFRBMXHCKSRC
SCHEMBL24458947 0.91 BTK (0.48) BTKEGFRBMXHCKSRC
SCHEMBL31523936 0.91 BTK (0.48) BTKEGFRBMXHCKSRC
SCHEMBL31523992 0.89 BTK (0.53) BTKEGFRBMXHCKSRC
SCHEMBL31523864 0.82 FGFR1 (0.43) BTKEGFRBLKITKJAK3
SCHEMBL24458703 0.82 FGFR1 (0.43) BTKEGFRBLKITKJAK3
SCHEMBL24458779 0.82 ITK (0.46) BTKEGFRBMXHCKSRC
SCHEMBL31523792 0.82 ITK (0.46) BTKEGFRBMXHCKSRC
SCHEMBL24458411 0.82 FGFR1 (0.51) BTKITKFGFR2KDR
SCHEMBL31523782 0.82 FGFR1 (0.51) BTKITKFGFR2KDR

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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