SCHEMBL24459058

SCHEMBL24459058

C=CC(=O)N1CC[C@@H](N2CC(C#Cc3c(-c4ccc(Oc5ccccc5F)cc4)c4c(N)ncnc4n3C)C2)[C@@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.49
▸ EGFR P00533 3/20 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
SCHEMBL31524048 1.00 BTK (0.49) BTKEGFR
SCHEMBL24458483 0.92 BTK (0.53) BTKEGFR
SCHEMBL24459131 0.92 BTK (0.53) BTKEGFR
SCHEMBL24459101 0.92 BTK (0.53) BTKEGFR
SCHEMBL31523908 0.90 BTK (0.46) BTKEGFR
SCHEMBL24458839 0.90 BTK (0.46) BTKEGFR
SCHEMBL24459069 0.89 BTK (0.51) BTKEGFR
SCHEMBL31523958 0.89 BTK (0.51) BTKEGFR
SCHEMBL24458625 0.89 BTK (0.51) BTKEGFR
SCHEMBL31523774 0.89 BTK (0.51) BTKEGFR

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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