SCHEMBL24458712

SCHEMBL24458712

C=CC(=O)N1CCC(N2CC(C#Cc3c(-c4ccc(Oc5ccccc5)c(C#N)c4)c4c(N)ncnc4n3C)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.49
▸ EGFR P00533 5/20 0.49
▸ BMX P51813 4/20 0.44
▸ TEC P42680 3/20 0.44
▸ FGFR2 P21802 3/20 0.44
▸ TXK P42681 2/20 0.44
▸ LYN P07948 2/20 0.44
▸ ITK Q08881 2/20 0.44
▸ HCK P08631 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ BLK P51451 2/20 0.44
▸ ERBB3 P21860 1/20 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
▸ LCK P06239 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
SCHEMBL31523768 1.00 BTK (0.49) BTKEGFRBMXTECFGFR2
SCHEMBL24458392 0.92 BTK (0.51) BTKEGFRBMXTECTXK
SCHEMBL24459042 0.91 BTK (0.50) BTKEGFRBMXTECFGFR2
SCHEMBL24458365 0.90 BTK (0.49) BTKEGFRBMXTECFGFR2
SCHEMBL31523833 0.90 BTK (0.49) BTKEGFRBMXTECFGFR2
SCHEMBL24458654 0.90 BTK (0.59) BTKEGFRBMXTECFGFR2
SCHEMBL31523719 0.89 BTK (0.48) BTKEGFRBMXTECFGFR2
SCHEMBL24458394 0.89 BTK (0.48) BTKEGFRBMXTECFGFR2
SCHEMBL24458846 0.88 BTK (0.49) BTKEGFRBMXTECFGFR2
SCHEMBL24458924 0.87 BTK (0.57) BTKEGFRBMXTECFGFR2

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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