SCHEMBL24458732

SCHEMBL24458732

C=CC(=O)N1CCC(N2CC(C#Cc3c(-c4ccc(Oc5cccc(C)n5)cc4)c4c(N)ncnc4n3C)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.48
▸ EGFR P00533 4/20 0.48
▸ FGFR1 P11362 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ TEC P42680 3/20 0.43
▸ BMX P51813 3/20 0.43
▸ TXK P42681 2/20 0.43
▸ LYN P07948 2/20 0.43
▸ FGFR2 P21802 2/20 0.43
▸ ITK Q08881 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
▸ ABL1 P00519 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ PGR P06401 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
SCHEMBL31523838 1.00 BTK (0.48) BTKEGFRFGFR1FGFR4TEC
SCHEMBL24458519 0.93 BTK (0.48) BTKEGFRFGFR1FGFR4TEC
SCHEMBL31524028 0.93 BTK (0.48) BTKEGFRFGFR1FGFR4TEC
SCHEMBL31523757 0.93 BTK (0.47) BTKEGFRFGFR1FGFR4TEC
SCHEMBL24458518 0.93 BTK (0.47) BTKEGFRFGFR1FGFR4TEC
SCHEMBL24458416 0.91 BTK (0.44) BTKEGFRTECBMXTXK
SCHEMBL31523807 0.91 BTK (0.44) BTKEGFRTECBMXTXK
SCHEMBL24458683 0.91 BTK (0.45) BTKEGFRTECBMXTXK
SCHEMBL24458776 0.91 BTK (0.45) BTKEGFRTECBMXTXK
SCHEMBL24458515 0.91 BTK (0.45) BTKEGFRTECBMXTXK

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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