SCHEMBL24458316

SCHEMBL24458316

C=CC(=O)N1CCC(C#Cc2c(-c3ccc(Oc4cccc(C)n4)cc3)c3c(N)ncnc3n2C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.47
▸ EGFR P00533 3/20 0.46
▸ TEC P42680 1/20 0.43
▸ BMX P51813 1/20 0.43
▸ CD69 Q07108 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ ERBB4 Q15303 1/20 0.43
▸ GP6 Q9HCN6 1/20 0.43
▸ NUDT5 Q9UKK9 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
SCHEMBL31523730 1.00 BTK (0.47) BTKEGFRTECBMXCD69
SCHEMBL24458882 0.90 BTK (0.49) BTKEGFRTECBMXCD69
SCHEMBL24458294 0.90 BTK (0.57) BTKEGFRTECBMXCD69
SCHEMBL24458918 0.90 ITK (0.44) BTKEGFRITK
SCHEMBL31523935 0.90 ITK (0.44) BTKEGFRITK
SCHEMBL31523765 0.89 BTK (0.49) BTKEGFRTECBMXCD69
SCHEMBL24458315 0.89 BTK (0.49) BTKEGFRTECBMXCD69
SCHEMBL24458778 0.89 BTK (0.48) BTKEGFRTECBMXCD69
SCHEMBL24458689 0.88 BTK (0.45) BTKEGFRTECBMXCD69
SCHEMBL31523772 0.88 BTK (0.45) BTKEGFRTECBMXCD69

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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