SCHEMBL24458769

SCHEMBL24458769

C=CC(=O)N1CCC(N2CCC(C#Cc3c(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc4n3C)C2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.57
▸ EGFR P00533 5/20 0.57
▸ TEC P42680 4/20 0.51
▸ BMX P51813 4/20 0.51
▸ ITK Q08881 3/20 0.51
▸ TXK P42681 2/20 0.51
▸ LYN P07948 2/20 0.51
▸ FGFR2 P21802 2/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ ERBB4 Q15303 2/20 0.51
▸ GP6 Q9HCN6 2/20 0.51
▸ NUDT5 Q9UKK9 2/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ SLC22A3 O75751 1/20 0.51
▸ LATS1 O95835 1/20 0.51
▸ NUDT14 O95848 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ LCK P06239 1/20 0.51

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
Formic Acid SCHEMBL31523925 0.98 BTK (0.55) BTKEGFRTECBMXITK
SCHEMBL24458654 0.96 BTK (0.59) BTKEGFRTECBMXITK
SCHEMBL24458924 0.93 BTK (0.57) BTKEGFRTECBMXITK
SCHEMBL24458617 0.93 BTK (0.58) BTKEGFRTECBMXITK
SCHEMBL24458619 0.93 BTK (0.59) BTKEGFRTECBMXITK
SCHEMBL24458627 0.92 BTK (0.60) BTKEGFRTECBMXITK
SCHEMBL24458566 0.90 BTK (0.57) BTKEGFRTECBMXITK
SCHEMBL24458467 0.89 BTK (0.54) BTKEGFRTECBMXITK
SCHEMBL31523896 0.89 BTK (0.54) BTKEGFRTECBMXITK
SCHEMBL24458388 0.88 BTK (0.55) BTKEGFRTECBMXITK

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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